CID 24834383

4-methoxy-n-(4-(4-(4-methylphenyl)-1-piperazinyl)carbonyl)phenylbenzamide

Structural Information

Molecular Formula
C26H27N3O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H27N3O3/c1-19-3-11-23(12-4-19)28-15-17-29(18-16-28)26(31)21-5-9-22(10-6-21)27-25(30)20-7-13-24(32-2)14-8-20/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKey
NLSUZLWENXNKDO-UHFFFAOYSA-N
Compound name
4-methoxy-N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.20523 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 206.0
[M+Na]+ 452.19445 209.0
[M-H]- 428.19795 214.7
[M+NH4]+ 447.23905 211.2
[M+K]+ 468.16839 203.3
[M+H-H2O]+ 412.20249 192.8
[M+HCOO]- 474.20343 221.4
[M+CH3COO]- 488.21908 231.0
[M+Na-2H]- 450.17990 205.2
[M]+ 429.20468 202.6
[M]- 429.20578 202.6
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.