CID 384377

Nsc674085

Structural Information

Molecular Formula
C37H33N5O2
SMILES
CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C37H33N5O2/c1-42(22-20-38-36(43)30-24-34(26-12-4-2-5-13-26)40-32-18-10-8-16-28(30)32)23-21-39-37(44)31-25-35(27-14-6-3-7-15-27)41-33-19-11-9-17-29(31)33/h2-19,24-25H,20-23H2,1H3,(H,38,43)(H,39,44)
InChIKey
LTQAJWGSUGQUPR-UHFFFAOYSA-N
Compound name
N-[2-[methyl-[2-[(2-phenylquinoline-4-carbonyl)amino]ethyl]amino]ethyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.2634 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.27068 239.8
[M+Na]+ 602.25262 241.6
[M-H]- 578.25612 250.4
[M+NH4]+ 597.29722 239.7
[M+K]+ 618.22656 234.0
[M+H-H2O]+ 562.26066 223.5
[M+HCOO]- 624.26160 257.3
[M+CH3COO]- 638.27725 243.7
[M+Na-2H]- 600.23807 244.6
[M]+ 579.26285 240.4
[M]- 579.26395 240.4
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.