CID 6444812

Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-methyl-, ditosylate

Structural Information

Molecular Formula
C30H26N4O2
SMILES
C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C
InChI
InChI=1S/C30H24N4O2/c1-33-17-3-5-23-19-25(12-14-27(23)33)31-29(35)16-9-21-7-10-22(11-8-21)30(36)32-26-13-15-28-24(20-26)6-4-18-34(28)2/h3-20H,1-2H3/p+2/b16-9+
InChIKey
FPTITLGUAXEAGK-CXUHLZMHSA-P
Compound name
N-(1-methylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.20557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.21285 225.0
[M+Na]+ 497.19479 229.9
[M-H]- 473.19829 233.4
[M+NH4]+ 492.23939 229.5
[M+K]+ 513.16873 210.8
[M+H-H2O]+ 457.20283 216.3
[M+HCOO]- 519.20377 241.8
[M+CH3COO]- 533.21942 229.5
[M+Na-2H]- 495.18024 233.5
[M]+ 474.20502 223.3
[M]- 474.20612 223.3
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.