CID 6445022

19060-39-0

Structural Information

Molecular Formula
C34H30N4O2
SMILES
C[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)C
InChI
InChI=1S/C34H28N4O2/c1-37-21-3-5-29(23-37)26-12-16-31(17-13-26)35-33(39)20-9-25-7-10-28(11-8-25)34(40)36-32-18-14-27(15-19-32)30-6-4-22-38(2)24-30/h3-24H,1-2H3/p+2/b20-9+
InChIKey
LQRIMJNCWGUGFL-AWQFTUOYSA-P
Compound name
4-[(E)-3-[4-(1-methylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-methylpyridin-1-ium-3-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2369 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.24418 232.8
[M+Na]+ 549.22612 253.7
[M+NH4]+ 544.27072 240.5
[M+K]+ 565.20006 243.8
[M-H]- 525.22962 246.7
[M+Na-2H]- 547.21157 247.8
[M]+ 526.23635 240.6
[M]- 526.23745 240.6
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.