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]+ 416.19688 201.0
[M+Na]+ 438.17882 203.5
[M-H]- 414.18232 209.5
[M+NH4]+ 433.22342 206.4
[M+K]+ 454.15276 197.9
[M+H-H2O]+ 398.18686 187.8
[M+HCOO]- 460.18780 216.8
[M+CH3COO]- 474.20345 207.7
[M+Na-2H]- 436.16427 201.5
[M]+ 415.18905 196.8
[M]- 415.19015 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.