CID 4592644

2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C24H21Br2N3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI
InChI=1S/C24H21Br2N3O/c1-24(2)11-19-22(20(30)12-24)21(14-3-5-15(25)6-4-14)18(13-27)23(28)29(19)17-9-7-16(26)8-10-17/h3-10,21H,11-12,28H2,1-2H3
InChIKey
XQLJHHLQUATEJO-UHFFFAOYSA-N
Compound name
2-amino-1,4-bis(4-bromophenyl)-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

525.0051 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.01238 194.8
[M+Na]+ 547.99432 192.1
[M+NH4]+ 543.03892 195.5
[M+K]+ 563.96826 192.7
[M-H]- 523.99782 194.0
[M+Na-2H]- 545.97977 195.1
[M]+ 525.00455 193.1
[M]- 525.00565 193.1
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.