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 181.8
[M+Na]+ 366.13436 186.1
[M-H]- 342.13786 187.1
[M+NH4]+ 361.17896 192.0
[M+K]+ 382.10830 179.3
[M+H-H2O]+ 326.14240 170.9
[M+HCOO]- 388.14334 194.5
[M+CH3COO]- 402.15899 190.0
[M+Na-2H]- 364.11981 184.1
[M]+ 343.14459 178.9
[M]- 343.14569 178.9
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.