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

1
Patents

382.2005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 192.0
[M+Na]+ 405.189718 195.0
[M-H]- 381.193224 199.5
[M+NH4]+ 400.234323 199.3
[M+K]+ 421.163658 192.1
[M+H-H2O]+ 365.197760 181.2
[M+HCOO]- 427.198701 206.7
[M+CH3COO]- 441.214351 199.6
[M+Na-2H]- 403.175166 193.0
[M]+ 382.19995142 188.7
[M]- 382.20104858 188.7
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

patents stripe