CID 205620

18355-53-8

Structural Information

Molecular Formula
C34H28N4O2
SMILES
C[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6C)C=C5
InChI
InChI=1S/C34H26N4O2/c1-37-19-3-5-25-15-17-29(21-31(25)37)35-33(39)27-11-7-23(8-12-27)24-9-13-28(14-10-24)34(40)36-30-18-16-26-6-4-20-38(2)32(26)22-30/h3-22H,1-2H3/p+2
InChIKey
VCTJJELTUQHSCN-UHFFFAOYSA-P
Compound name
N-(1-methylquinolin-1-ium-7-yl)-4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.22125 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.22853 239.7
[M+Na]+ 547.21047 243.7
[M-H]- 523.21397 250.5
[M+NH4]+ 542.25507 241.3
[M+K]+ 563.18441 224.6
[M+H-H2O]+ 507.21851 228.9
[M+HCOO]- 569.21945 255.2
[M+CH3COO]- 583.23510 239.8
[M+Na-2H]- 545.19592 247.2
[M]+ 524.22070 237.4
[M]- 524.22180 237.4
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

No patent data available for this compound.