CID 3021553

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

Structural Information

Molecular Formula
C28H31N3O5
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C28H31N3O5/c1-19-5-11-23(12-6-19)30-13-15-31(16-14-30)28(33)20-7-9-22(10-8-20)29-27(32)21-17-24(34-2)26(36-4)25(18-21)35-3/h5-12,17-18H,13-16H2,1-4H3,(H,29,32)
InChIKey
PBGRMIXRXVGANZ-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.22638 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.23366 220.7
[M+Na]+ 512.21560 223.9
[M-H]- 488.21910 229.7
[M+NH4]+ 507.26020 223.6
[M+K]+ 528.18954 219.8
[M+H-H2O]+ 472.22364 207.0
[M+HCOO]- 534.22458 235.6
[M+CH3COO]- 548.24023 243.8
[M+Na-2H]- 510.20105 217.7
[M]+ 489.22583 221.4
[M]- 489.22693 221.4
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.