CID 3039327

50425-35-9

Structural Information

Molecular Formula
C29H26N4O
SMILES
C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C
InChI
InChI=1S/C29H24N4O/c1-32-18-15-22(16-19-32)21-7-11-25(12-8-21)31-29(34)23-9-13-24(14-10-23)30-27-17-20-33(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3/p+2
InChIKey
YQTSCLAZEMZYRU-UHFFFAOYSA-P
Compound name
N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.21066 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21794 219.2
[M+Na]+ 469.19988 223.7
[M-H]- 445.20338 229.5
[M+NH4]+ 464.24448 223.6
[M+K]+ 485.17382 204.5
[M+H-H2O]+ 429.20792 210.0
[M+HCOO]- 491.20886 236.9
[M+CH3COO]- 505.22451 225.5
[M+Na-2H]- 467.18533 227.4
[M]+ 446.21011 215.4
[M]- 446.21121 215.4
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

patents stripe