CID 16226926

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide hydrochloride

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C19H22ClN3O/c20-14-19(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKey
UVWFRHATMSUKBG-UHFFFAOYSA-N
Compound name
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 182.6
[M+Na]+ 366.13436 196.8
[M+NH4]+ 361.17896 190.5
[M+K]+ 382.10830 187.6
[M-H]- 342.13786 188.5
[M+Na-2H]- 364.11981 191.9
[M]+ 343.14459 186.6
[M]- 343.14569 186.6
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.