CID 205655

18430-43-8

Structural Information

Molecular Formula
C40H40N4O2
SMILES
CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCCC
InChI
InChI=1S/C40H38N4O2/c1-3-5-23-43-25-7-9-33-27-35(19-21-37(33)43)41-39(45)31-15-11-29(12-16-31)30-13-17-32(18-14-30)40(46)42-36-20-22-38-34(28-36)10-8-26-44(38)24-6-4-2/h7-22,25-28H,3-6,23-24H2,1-2H3/p+2
InChIKey
ONFTZDKPDBPRQW-UHFFFAOYSA-P
Compound name
N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.3151 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.32238 264.9
[M+Na]+ 631.30432 265.9
[M-H]- 607.30782 274.3
[M+NH4]+ 626.34892 262.9
[M+K]+ 647.27826 246.0
[M+H-H2O]+ 591.31236 252.6
[M+HCOO]- 653.31330 278.1
[M+CH3COO]- 667.32895 255.7
[M+Na-2H]- 629.28977 269.3
[M]+ 608.31455 263.9
[M]- 608.31565 263.9
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.