CID 146780

68772-10-1

Structural Information

Molecular Formula
C31H31N5O
SMILES
CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)CC
InChI
InChI=1S/C31H29N5O/c1-3-35-20-17-27(18-21-35)32-24-13-15-26(16-14-24)34-31(37)23-9-11-25(12-10-23)33-29-19-22-36(4-2)30-8-6-5-7-28(29)30/h5-22H,3-4H2,1-2H3,(H,34,37)/p+2
InChIKey
OPJMVFKJMNZRNB-UHFFFAOYSA-P
Compound name
N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

489.25287 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.26015 227.2
[M+Na]+ 512.24209 229.8
[M-H]- 488.24559 237.0
[M+NH4]+ 507.28669 229.5
[M+K]+ 528.21603 210.5
[M+H-H2O]+ 472.25013 217.5
[M+HCOO]- 534.25107 245.2
[M+CH3COO]- 548.26672 235.9
[M+Na-2H]- 510.22754 235.6
[M]+ 489.25232 223.5
[M]- 489.25342 223.5
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.