CID 3052460

68772-15-6

Structural Information

Molecular Formula
C35H32N6O
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4C6=CC=CC=C6)C)N
InChI
InChI=1S/C35H30N6O/c1-40-20-18-30(19-21-40)37-27-13-15-29(16-14-27)39-35(42)25-8-11-28(12-9-25)38-34-31-22-26(36)10-17-33(31)41(2)23-32(34)24-6-4-3-5-7-24/h3-23H,36H2,1-2H3,(H,39,42)/p+2
InChIKey
QAUDGRZDZRXFBN-UHFFFAOYSA-P
Compound name
4-[(6-amino-1-methyl-3-phenylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

552.26373 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.27101 239.3
[M+Na]+ 575.25295 260.2
[M+NH4]+ 570.29755 247.9
[M+K]+ 591.22689 249.8
[M-H]- 551.25645 255.5
[M+Na-2H]- 573.23840 254.1
[M]+ 552.26318 247.8
[M]- 552.26428 247.8
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.