PubChemLite - 11-butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-n-methyl-3,9-diazaspiro[5.5]undecane-9-carboxamide (C28H46N6O2)

Structural Information

Molecular Formula

SMILES

CCCCC1CN(CCC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)C(=O)NC

InChI

InChI=1S/C28H46N6O2/c1-6-7-8-23-19-33(26(36)29-5)16-11-28(23)12-17-34(18-13-28)27(4)9-14-32(15-10-27)25(35)24-21(2)30-20-31-22(24)3/h20,23H,6-19H2,1-5H3,(H,29,36)

InChIKey

QVVYORMQDXUEAH-UHFFFAOYSA-N

Compound name

5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	499.37551	229.2
[M+Na]+	521.35745	229.5
[M-H]-	497.36095	231.2
[M+NH4]+	516.40205	232.3
[M+K]+	537.33139	224.1
[M+H-H2O]+	481.36549	214.8
[M+HCOO]-	543.36643	231.3
[M+CH3COO]-	557.38208	244.9
[M+Na-2H]-	519.34290	223.8
[M]+	498.36768	220.3
[M]-	498.36878	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.37551

229.2

[M+Na]+

521.35745

229.5

[M-H]-

497.36095

231.2

[M+NH4]+

516.40205

232.3

[M+K]+

537.33139

224.1

[M+H-H2O]+

481.36549

214.8

[M+HCOO]-

543.36643

231.3

[M+CH3COO]-

557.38208

244.9

[M+Na-2H]-

519.34290

223.8

[M]+

498.36768

220.3

[M]-

498.36878

220.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

11-butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-n-methyl-3,9-diazaspiro[5.5]undecane-9-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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