CID 384378

Nsc674086

Structural Information

Molecular Formula
C39H37N5O2
SMILES
CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C39H37N5O2/c1-44(24-12-22-40-38(45)32-26-36(28-14-4-2-5-15-28)42-34-20-10-8-18-30(32)34)25-13-23-41-39(46)33-27-37(29-16-6-3-7-17-29)43-35-21-11-9-19-31(33)35/h2-11,14-21,26-27H,12-13,22-25H2,1H3,(H,40,45)(H,41,46)
InChIKey
JHHIWYHLJVQCFF-UHFFFAOYSA-N
Compound name
N-[3-[methyl-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]amino]propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.29474 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.30202 247.7
[M+Na]+ 630.28396 248.5
[M-H]- 606.28746 257.8
[M+NH4]+ 625.32856 246.4
[M+K]+ 646.25790 240.6
[M+H-H2O]+ 590.29200 231.0
[M+HCOO]- 652.29294 264.4
[M+CH3COO]- 666.30859 250.6
[M+Na-2H]- 628.26941 251.5
[M]+ 607.29419 248.7
[M]- 607.29529 248.7
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.