CID 384380

Nsc674088

Structural Information

Molecular Formula
C39H37N5O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C39H37N5O2/c45-38(32-26-36(28-14-3-1-4-15-28)43-34-20-9-7-18-30(32)34)41-24-12-11-22-40-23-13-25-42-39(46)33-27-37(29-16-5-2-6-17-29)44-35-21-10-8-19-31(33)35/h1-10,14-21,26-27,40H,11-13,22-25H2,(H,41,45)(H,42,46)
InChIKey
UHOSYLRTJYGKOL-UHFFFAOYSA-N
Compound name
2-phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.29474 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.30202 245.4
[M+Na]+ 630.28396 246.3
[M-H]- 606.28746 254.2
[M+NH4]+ 625.32856 243.6
[M+K]+ 646.25790 237.1
[M+H-H2O]+ 590.29200 229.0
[M+HCOO]- 652.29294 261.8
[M+CH3COO]- 666.30859 248.0
[M+Na-2H]- 628.26941 250.2
[M]+ 607.29419 245.4
[M]- 607.29529 245.4
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.