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 213.7
[M+Na]+ 482.20504 227.5
[M+NH4]+ 477.24964 218.9
[M+K]+ 498.17898 220.0
[M-H]- 458.20854 220.5
[M+Na-2H]- 480.19049 222.5
[M]+ 459.21527 217.5
[M]- 459.21637 217.5
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.