CID 16226867

2-[4-(2-chloroacetyl)piperazin-1-yl]-n-(4-fluorophenyl)acetamide hydrochloride

Structural Information

Molecular Formula
C14H17ClFN3O2
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCl
InChI
InChI=1S/C14H17ClFN3O2/c15-9-14(21)19-7-5-18(6-8-19)10-13(20)17-12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,20)
InChIKey
GQBHDNDQHLQJEF-UHFFFAOYSA-N
Compound name
2-[4-(2-chloroacetyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09933 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10661 169.8
[M+Na]+ 336.08855 175.1
[M-H]- 312.09205 171.3
[M+NH4]+ 331.13315 181.7
[M+K]+ 352.06249 170.1
[M+H-H2O]+ 296.09659 160.1
[M+HCOO]- 358.09753 181.4
[M+CH3COO]- 372.11318 204.9
[M+Na-2H]- 334.07400 170.6
[M]+ 313.09878 166.8
[M]- 313.09988 166.8
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.