CID 3050160

Benzamide, 2-((2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C21H28N4O
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCNC3=CC=CC=C3C(=O)N
InChI
InChI=1S/C21H28N4O/c22-21(26)19-8-4-5-9-20(19)23-11-13-25-16-14-24(15-17-25)12-10-18-6-2-1-3-7-18/h1-9,23H,10-17H2,(H2,22,26)
InChIKey
WZDKCONMVYVPHV-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.22632 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 186.5
[M+Na]+ 375.21554 188.2
[M-H]- 351.21904 191.1
[M+NH4]+ 370.26014 194.7
[M+K]+ 391.18948 182.2
[M+H-H2O]+ 335.22358 174.7
[M+HCOO]- 397.22452 203.6
[M+CH3COO]- 411.24017 219.0
[M+Na-2H]- 373.20099 188.0
[M]+ 352.22577 180.5
[M]- 352.22687 180.5
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

patents stripe