CID 384379

Nsc674087

Structural Information

Molecular Formula
C36H31N5O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C36H31N5O2/c42-35(29-23-33(25-11-3-1-4-12-25)40-31-17-9-7-15-27(29)31)38-21-19-37-20-22-39-36(43)30-24-34(26-13-5-2-6-14-26)41-32-18-10-8-16-28(30)32/h1-18,23-24,37H,19-22H2,(H,38,42)(H,39,43)
InChIKey
KMMHCDBZYFXNIU-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.2478 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.25508 233.8
[M+Na]+ 588.23702 236.2
[M-H]- 564.24052 243.3
[M+NH4]+ 583.28162 233.8
[M+K]+ 604.21096 227.4
[M+H-H2O]+ 548.24506 218.0
[M+HCOO]- 610.24600 251.4
[M+CH3COO]- 624.26165 237.8
[M+Na-2H]- 586.22247 240.0
[M]+ 565.24725 233.1
[M]- 565.24835 233.1
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.