CID 2968268

354796-78-4

Structural Information

Molecular Formula
C25H24ClN3O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)Cl)C(=O)CC(C3)(C)C
InChI
InChI=1S/C25H24ClN3O/c1-15-4-10-18(11-5-15)29-20-12-25(2,3)13-21(30)23(20)22(19(14-27)24(29)28)16-6-8-17(26)9-7-16/h4-11,22H,12-13,28H2,1-3H3
InChIKey
CSSFYFRQRJUAKQ-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1608 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16808 208.0
[M+Na]+ 440.15002 220.7
[M-H]- 416.15352 214.6
[M+NH4]+ 435.19462 219.3
[M+K]+ 456.12396 208.6
[M+H-H2O]+ 400.15806 192.5
[M+HCOO]- 462.15900 217.2
[M+CH3COO]- 476.17465 215.3
[M+Na-2H]- 438.13547 206.1
[M]+ 417.16025 202.5
[M]- 417.16135 202.5
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.