CID 4191176

4-(2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4h)-quinolinyl)benzenesulfonamide

Structural Information

Molecular Formula
C25H26N4O3S
SMILES
CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N)C#N
InChI
InChI=1S/C25H26N4O3S/c1-15-4-6-16(7-5-15)22-19(14-26)24(27)29(17-8-10-18(11-9-17)33(28,31)32)20-12-25(2,3)13-21(30)23(20)22/h4-11,22H,12-13,27H2,1-3H3,(H2,28,31,32)
InChIKey
OAILHODFFSOJOM-UHFFFAOYSA-N
Compound name
4-[2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.17258 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.17986 224.6
[M+Na]+ 485.16180 235.2
[M-H]- 461.16530 230.8
[M+NH4]+ 480.20640 233.0
[M+K]+ 501.13574 226.2
[M+H-H2O]+ 445.16984 209.5
[M+HCOO]- 507.17078 232.3
[M+CH3COO]- 521.18643 246.3
[M+Na-2H]- 483.14725 222.9
[M]+ 462.17203 218.6
[M]- 462.17313 218.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.