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 192.0
[M+Na]+ 405.18972 195.0
[M-H]- 381.19322 199.5
[M+NH4]+ 400.23432 199.3
[M+K]+ 421.16366 192.1
[M+H-H2O]+ 365.19776 181.2
[M+HCOO]- 427.19870 206.7
[M+CH3COO]- 441.21435 199.6
[M+Na-2H]- 403.17517 193.0
[M]+ 382.19995 188.7
[M]- 382.20105 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