CID 384386

Nsc674092

Structural Information

Molecular Formula
C42H42N6O2
SMILES
C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7
InChI
InChI=1S/C42H42N6O2/c49-41(35-29-39(31-13-3-1-4-14-31)45-37-19-9-7-17-33(35)37)43-21-11-23-47-25-27-48(28-26-47)24-12-22-44-42(50)36-30-40(32-15-5-2-6-16-32)46-38-20-10-8-18-34(36)38/h1-10,13-20,29-30H,11-12,21-28H2,(H,43,49)(H,44,50)
InChIKey
RGSYGZZGUHHNSQ-UHFFFAOYSA-N
Compound name
2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.3369 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.34418 256.4
[M+Na]+ 685.32612 255.4
[M-H]- 661.32962 264.3
[M+NH4]+ 680.37072 249.1
[M+K]+ 701.30006 244.9
[M+H-H2O]+ 645.33416 237.1
[M+HCOO]- 707.33510 264.6
[M+CH3COO]- 721.35075 256.1
[M+Na-2H]- 683.31157 258.0
[M]+ 662.33635 251.9
[M]- 662.33745 251.9
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.