CID 384388

Nsc674094

Structural Information

Molecular Formula
C38H34N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C38H34N4O2/c43-37(31-25-35(27-15-5-3-6-16-27)41-33-21-11-9-19-29(31)33)39-23-13-1-2-14-24-40-38(44)32-26-36(28-17-7-4-8-18-28)42-34-22-12-10-20-30(32)34/h3-12,15-22,25-26H,1-2,13-14,23-24H2,(H,39,43)(H,40,44)
InChIKey
KBQKSRBWSOYBTB-UHFFFAOYSA-N
Compound name
2-phenyl-N-[6-[(2-phenylquinoline-4-carbonyl)amino]hexyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.2682 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.27548 242.7
[M+Na]+ 601.25742 245.0
[M-H]- 577.26092 251.8
[M+NH4]+ 596.30202 242.4
[M+K]+ 617.23136 235.5
[M+H-H2O]+ 561.26546 226.4
[M+HCOO]- 623.26640 258.4
[M+CH3COO]- 637.28205 246.1
[M+Na-2H]- 599.24287 246.5
[M]+ 578.26765 242.8
[M]- 578.26875 242.8
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.