CID 3078820

Benzamide, 3,4-dimethoxy-n-((4-(2-(1-piperidinyl)ethoxy)phenyl)methyl)-

Structural Information

Molecular Formula
C23H30N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCCN3CCCCC3)OC
InChI
InChI=1S/C23H30N2O4/c1-27-21-11-8-19(16-22(21)28-2)23(26)24-17-18-6-9-20(10-7-18)29-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26)
InChIKey
RSPQWGFZDPESHK-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 197.4
[M+Na]+ 421.209768 199.5
[M-H]- 397.213274 204.0
[M+NH4]+ 416.254373 205.8
[M+K]+ 437.183708 195.9
[M+H-H2O]+ 381.217810 185.9
[M+HCOO]- 443.218751 215.2
[M+CH3COO]- 457.234401 224.6
[M+Na-2H]- 419.195216 197.5
[M]+ 398.22000142 197.7
[M]- 398.22109858 197.7
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.