CID 4569410

156496-76-3

Structural Information

Molecular Formula
C24H22BrN3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI
InChI=1S/C24H22BrN3O/c1-24(2)12-19-22(20(29)13-24)21(15-8-10-16(25)11-9-15)18(14-26)23(27)28(19)17-6-4-3-5-7-17/h3-11,21H,12-13,27H2,1-2H3
InChIKey
VYEMUTBWOSTYJY-UHFFFAOYSA-N
Compound name
2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.09464 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10192 199.3
[M+Na]+ 470.08386 205.1
[M+NH4]+ 465.12846 202.1
[M+K]+ 486.05780 197.5
[M-H]- 446.08736 197.7
[M+Na-2H]- 468.06931 201.9
[M]+ 447.09409 198.3
[M]- 447.09519 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.