CID 384126

Nsc673414

Structural Information

Molecular Formula
C38H35N5O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C38H35N5O2/c44-37(31-25-35(27-13-3-1-4-14-27)42-33-19-9-7-17-29(31)33)40-23-11-21-39-22-12-24-41-38(45)32-26-36(28-15-5-2-6-16-28)43-34-20-10-8-18-30(32)34/h1-10,13-20,25-26,39H,11-12,21-24H2,(H,40,44)(H,41,45)
InChIKey
SJJRPBWGEFLAEB-UHFFFAOYSA-N
Compound name
2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.27905 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.28633 241.5
[M+Na]+ 616.26827 242.9
[M-H]- 592.27177 250.6
[M+NH4]+ 611.31287 240.4
[M+K]+ 632.24221 233.9
[M+H-H2O]+ 576.27631 225.3
[M+HCOO]- 638.27725 258.4
[M+CH3COO]- 652.29290 244.6
[M+Na-2H]- 614.25372 246.8
[M]+ 593.27850 241.4
[M]- 593.27960 241.4
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.