CID 34844

Benzamide, 4-amino-n-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C21H26N4O3
SMILES
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H26N4O3/c22-18-4-2-17(3-5-18)21(26)23-7-8-24-9-11-25(12-10-24)14-16-1-6-19-20(13-16)28-15-27-19/h1-6,13H,7-12,14-15,22H2,(H,23,26)
InChIKey
WGLGBZMZFABUTK-UHFFFAOYSA-N
Compound name
4-amino-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 194.2
[M+Na]+ 405.18972 204.7
[M+NH4]+ 400.23432 200.3
[M+K]+ 421.16366 200.7
[M-H]- 381.19322 201.9
[M+Na-2H]- 403.17517 198.4
[M]+ 382.19995 197.6
[M]- 382.20105 197.6
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.