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 228.2
[M+Na]+ 525.23732 231.2
[M-H]- 501.24082 238.0
[M+NH4]+ 520.28192 229.9
[M+K]+ 541.21126 211.5
[M+H-H2O]+ 485.24536 218.9
[M+HCOO]- 547.24630 246.9
[M+CH3COO]- 561.26195 240.0
[M+Na-2H]- 523.22277 236.3
[M]+ 502.24755 223.1
[M]- 502.24865 223.1
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.