CID 4245186

476483-64-4

Structural Information

Molecular Formula
C26H26ClN3O
SMILES
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl)N)C#N
InChI
InChI=1S/C26H26ClN3O/c1-4-16-5-7-17(8-6-16)23-20(15-28)25(29)30(19-11-9-18(27)10-12-19)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,29H2,1-3H3
InChIKey
FXJBQYLWRIMUEM-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17645 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18373 211.7
[M+Na]+ 454.16567 223.9
[M-H]- 430.16917 218.1
[M+NH4]+ 449.21027 222.4
[M+K]+ 470.13961 211.7
[M+H-H2O]+ 414.17371 196.0
[M+HCOO]- 476.17465 220.5
[M+CH3COO]- 490.19030 218.6
[M+Na-2H]- 452.15112 209.3
[M]+ 431.17590 206.5
[M]- 431.17700 206.5
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.