CID 384383

Nsc674090

Structural Information

Molecular Formula
C37H33N5O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C37H33N5O2/c43-36(30-24-34(26-12-3-1-4-13-26)41-32-18-9-7-16-28(30)32)39-21-11-20-38-22-23-40-37(44)31-25-35(27-14-5-2-6-15-27)42-33-19-10-8-17-29(31)33/h1-10,12-19,24-25,38H,11,20-23H2,(H,39,43)(H,40,44)
InChIKey
SDGARJAWDOLJTM-UHFFFAOYSA-N
Compound name
2-phenyl-N-[3-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]propyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.2634 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.27068 237.7
[M+Na]+ 602.25262 239.6
[M-H]- 578.25612 247.0
[M+NH4]+ 597.29722 237.1
[M+K]+ 618.22656 230.6
[M+H-H2O]+ 562.26066 221.7
[M+HCOO]- 624.26160 254.9
[M+CH3COO]- 638.27725 241.2
[M+Na-2H]- 600.23807 243.4
[M]+ 579.26285 237.3
[M]- 579.26395 237.3
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.