CID 3021551

Benzamide, 4-methoxy-n-(4-((4-phenyl-1-piperazinyl)carbonyl)phenyl)-

Structural Information

Molecular Formula
C25H25N3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C25H25N3O3/c1-31-23-13-9-19(10-14-23)24(29)26-21-11-7-20(8-12-21)25(30)28-17-15-27(16-18-28)22-5-3-2-4-6-22/h2-14H,15-18H2,1H3,(H,26,29)
InChIKey
JJHCCTBZMSFTMP-UHFFFAOYSA-N
Compound name
4-methoxy-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1896 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.196876 201.0
[M+Na]+ 438.178818 203.5
[M-H]- 414.182324 209.5
[M+NH4]+ 433.223423 206.4
[M+K]+ 454.152758 197.9
[M+H-H2O]+ 398.186860 187.8
[M+HCOO]- 460.187801 216.8
[M+CH3COO]- 474.203451 207.7
[M+Na-2H]- 436.164266 201.5
[M]+ 415.18905142 196.8
[M]- 415.19014858 196.8
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.