CID 56005

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

Structural Information

Molecular Formula
C27H29N3O4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C27H29N3O4/c1-19-4-11-23(12-5-19)29-14-16-30(17-15-29)27(32)20-6-9-22(10-7-20)28-26(31)21-8-13-24(33-2)25(18-21)34-3/h4-13,18H,14-17H2,1-3H3,(H,28,31)
InChIKey
VZABAQMAEBDKGB-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.21582 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.22310 213.5
[M+Na]+ 482.20504 216.6
[M-H]- 458.20854 222.4
[M+NH4]+ 477.24964 217.5
[M+K]+ 498.17898 211.7
[M+H-H2O]+ 442.21308 200.0
[M+HCOO]- 504.21402 228.6
[M+CH3COO]- 518.22967 237.4
[M+Na-2H]- 480.19049 211.5
[M]+ 459.21527 212.1
[M]- 459.21637 212.1
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.