CID 1627603

64675-63-4

Structural Information

Molecular Formula
C29H20Br2N2O
SMILES
CC1=C(C2=C(C=CC(=C2)Br)N=C1NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H20Br2N2O/c1-18-27(19-8-4-2-5-9-19)23-16-21(30)12-14-25(23)32-29(18)33-26-15-13-22(31)17-24(26)28(34)20-10-6-3-7-11-20/h2-17H,1H3,(H,32,33)
InChIKey
QNCYUEXDQCVNTI-UHFFFAOYSA-N
Compound name
[5-bromo-2-[(6-bromo-3-methyl-4-phenylquinolin-2-yl)amino]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.99426 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.00154 212.6
[M+Na]+ 592.98348 219.4
[M-H]- 568.98698 224.5
[M+NH4]+ 588.02808 221.0
[M+K]+ 608.95742 204.2
[M+H-H2O]+ 552.99152 216.6
[M+HCOO]- 614.99246 224.6
[M+CH3COO]- 629.00811 221.0
[M+Na-2H]- 590.96893 214.6
[M]+ 569.99371 244.8
[M]- 569.99481 244.8
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.