PubChemLite - 312265-62-6 (C29H34N4O)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)C)N)C#N

InChI

InChI=1S/C29H34N4O/c1-6-32(7-2)21-14-10-20(11-15-21)26-23(18-30)28(31)33(22-12-8-19(3)9-13-22)24-16-29(4,5)17-25(34)27(24)26/h8-15,26H,6-7,16-17,31H2,1-5H3

InChIKey

XGZOARBILMGPGS-UHFFFAOYSA-N

Compound name

2-amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile

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]+	455.28053	220.3
[M+Na]+	477.26247	229.4
[M-H]-	453.26597	227.3
[M+NH4]+	472.30707	229.3
[M+K]+	493.23641	219.7
[M+H-H2O]+	437.27051	203.1
[M+HCOO]-	499.27145	233.3
[M+CH3COO]-	513.28710	253.3
[M+Na-2H]-	475.24792	216.9
[M]+	454.27270	214.1
[M]-	454.27380	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.28053

220.3

[M+Na]+

477.26247

229.4

[M-H]-

453.26597

227.3

[M+NH4]+

472.30707

229.3

[M+K]+

493.23641

219.7

[M+H-H2O]+

437.27051

203.1

[M+HCOO]-

499.27145

233.3

[M+CH3COO]-

513.28710

253.3

[M+Na-2H]-

475.24792

216.9

[M]+

454.27270

214.1

[M]-

454.27380

214.1

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

312265-62-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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