CID 56004

Benzamide, n-(4-((4-phenyl-1-piperazinyl)carbonyl)phenyl)-3,4,5-trimethoxy-

Structural Information

Molecular Formula
C27H29N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C27H29N3O5/c1-33-23-17-20(18-24(34-2)25(23)35-3)26(31)28-21-11-9-19(10-12-21)27(32)30-15-13-29(14-16-30)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3,(H,28,31)
InChIKey
CMXZIRICNIQTSY-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.21072 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.21800 215.7
[M+Na]+ 498.19994 218.5
[M-H]- 474.20344 224.6
[M+NH4]+ 493.24454 218.9
[M+K]+ 514.17388 214.5
[M+H-H2O]+ 458.20798 202.0
[M+HCOO]- 520.20892 231.0
[M+CH3COO]- 534.22457 239.6
[M+Na-2H]- 496.18539 214.0
[M]+ 475.21017 215.7
[M]- 475.21127 215.7
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.