CID 3075945

2-(2-hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-n-(1h-indol-4-yl)benzamide oxalate

Structural Information

Molecular Formula
C35H36N4O3
SMILES
C1CN(CCN1CC(COC2=CC=CC=C2C(=O)NC3=CC=CC4=C3C=CN4)O)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H36N4O3/c40-28(24-38-20-22-39(23-21-38)34(26-10-3-1-4-11-26)27-12-5-2-6-13-27)25-42-33-17-8-7-14-30(33)35(41)37-32-16-9-15-31-29(32)18-19-36-31/h1-19,28,34,36,40H,20-25H2,(H,37,41)
InChIKey
TZIWDVZYOYNPEX-UHFFFAOYSA-N
Compound name
2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

560.27875 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.28603 238.9
[M+Na]+ 583.26797 252.6
[M+NH4]+ 578.31257 244.0
[M+K]+ 599.24191 245.5
[M-H]- 559.27147 247.3
[M+Na-2H]- 581.25342 248.7
[M]+ 560.27820 243.1
[M]- 560.27930 243.1
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

patents stripe