CID 3258410

2-amino-1-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C24H22ClN3O2
SMILES
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CCC3
InChI
InChI=1S/C24H22ClN3O2/c1-14-18(25)5-3-6-19(14)28-20-7-4-8-21(29)23(20)22(17(13-26)24(28)27)15-9-11-16(30-2)12-10-15/h3,5-6,9-12,22H,4,7-8,27H2,1-2H3
InChIKey
DGAXPFMQISKSDV-UHFFFAOYSA-N
Compound name
2-amino-1-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14005 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14733 206.5
[M+Na]+ 442.12927 218.0
[M-H]- 418.13277 212.7
[M+NH4]+ 437.17387 215.6
[M+K]+ 458.10321 207.3
[M+H-H2O]+ 402.13731 190.7
[M+HCOO]- 464.13825 216.0
[M+CH3COO]- 478.15390 213.6
[M+Na-2H]- 440.11472 204.2
[M]+ 419.13950 201.6
[M]- 419.14060 201.6
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.