CID 6444880

50309-35-8

Structural Information

Molecular Formula
C31H30N6O
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N
InChI
InChI=1S/C31H28N6O/c1-36-18-15-27(16-19-36)33-24-9-11-26(12-10-24)35-31(38)14-5-22-3-7-25(8-4-22)34-29-17-20-37(2)30-13-6-23(32)21-28(29)30/h3-21H,32H2,1-2H3,(H,35,38)/p+2/b14-5+
InChIKey
GJOMYKUNIVZPJD-LHHJGKSTSA-P
Compound name
(E)-3-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.2481 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.25538 224.5
[M+Na]+ 525.23732 243.6
[M+NH4]+ 520.28192 232.6
[M+K]+ 541.21126 234.3
[M-H]- 501.24082 238.2
[M+Na-2H]- 523.22277 237.4
[M]+ 502.24755 231.8
[M]- 502.24865 231.8
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.