CID 206459

50308-87-7

Structural Information

Molecular Formula
C30H29N5O
SMILES
CC1=CC2=C(C=C[N+](=C2C=C1)C)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C
InChI
InChI=1S/C30H27N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4-20H,1-3H3,(H,33,36)/p+2
InChIKey
IWADDZAFNIARSR-UHFFFAOYSA-P
Compound name
4-[(1,6-dimethylquinolin-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

475.2372 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.24448 218.9
[M+Na]+ 498.22642 239.8
[M+NH4]+ 493.27102 228.1
[M+K]+ 514.20036 230.0
[M-H]- 474.22992 232.8
[M+Na-2H]- 496.21187 232.9
[M]+ 475.23665 226.8
[M]- 475.23775 226.8
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.