CID 3052462

68772-17-8

Structural Information

Molecular Formula
C30H30N6O2
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=C(C5=[N+](C=C4)C)OC)N
InChI
InChI=1S/C30H28N6O2/c1-35-15-12-25(13-16-35)32-22-6-4-20(5-7-22)30(37)34-24-10-8-23(9-11-24)33-27-14-17-36(2)29-26(27)18-21(31)19-28(29)38-3/h4-19H,31H2,1-3H3,(H,34,37)/p+2
InChIKey
PYMCYVHCYWWLTM-UHFFFAOYSA-P
Compound name
N-[4-[(6-amino-8-methoxy-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.243 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.25028 225.2
[M+Na]+ 529.23222 244.3
[M+NH4]+ 524.27682 233.2
[M+K]+ 545.20616 236.0
[M-H]- 505.23572 238.9
[M+Na-2H]- 527.21767 237.7
[M]+ 506.24245 232.6
[M]- 506.24355 232.6
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.