PubChemLite - 2421199-39-3 (C24H32N8O)

Structural Information

Molecular Formula

SMILES

CCCN1C(=NN=C1C2=NC(=CC=C2)N3CC4=C(N=C(C=C4C3=O)N(C)C(C)C)CNC)C

InChI

InChI=1S/C24H32N8O/c1-7-11-31-16(4)28-29-23(31)19-9-8-10-21(26-19)32-14-18-17(24(32)33)12-22(30(6)15(2)3)27-20(18)13-25-5/h8-10,12,15,25H,7,11,13-14H2,1-6H3

InChIKey

RYBKWTCRKGAJRM-UHFFFAOYSA-N

Compound name

4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)pyridin-2-yl]-3H-pyrrolo[3,4-c]pyridin-1-one

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]+	449.27718	214.4
[M+Na]+	471.25912	222.1
[M-H]-	447.26262	220.3
[M+NH4]+	466.30372	220.4
[M+K]+	487.23306	216.0
[M+H-H2O]+	431.26716	202.2
[M+HCOO]-	493.26810	230.3
[M+CH3COO]-	507.28375	221.7
[M+Na-2H]-	469.24457	210.3
[M]+	448.26935	219.1
[M]-	448.27045	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.27718

214.4

[M+Na]+

471.25912

222.1

[M-H]-

447.26262

220.3

[M+NH4]+

466.30372

220.4

[M+K]+

487.23306

216.0

[M+H-H2O]+

431.26716

202.2

[M+HCOO]-

493.26810

230.3

[M+CH3COO]-

507.28375

221.7

[M+Na-2H]-

469.24457

210.3

[M]+

448.26935

219.1

[M]-

448.27045

219.1

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

2421199-39-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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