CID 6444814

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

Structural Information

Molecular Formula
C32H30N4O2
SMILES
CC[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)CC
InChI
InChI=1S/C32H28N4O2/c1-3-35-19-5-7-25-21-27(14-16-29(25)35)33-31(37)18-11-23-9-12-24(13-10-23)32(38)34-28-15-17-30-26(22-28)8-6-20-36(30)4-2/h5-22H,3-4H2,1-2H3/p+2/b18-11+
InChIKey
ILKRRJADTGELFU-WOJGMQOQSA-P
Compound name
N-(1-ethylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-ethylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.23688 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.24416 233.9
[M+Na]+ 525.22610 237.8
[M-H]- 501.22960 241.8
[M+NH4]+ 520.27070 237.1
[M+K]+ 541.20004 218.3
[M+H-H2O]+ 485.23414 224.6
[M+HCOO]- 547.23508 249.8
[M+CH3COO]- 561.25073 235.0
[M+Na-2H]- 523.21155 241.2
[M]+ 502.23633 232.6
[M]- 502.23743 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.