CID 181428

133920-70-4

Structural Information

Molecular Formula
C13H16FN3O2
SMILES
CC(=O)N1CCN(CC1)NC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FN3O2/c1-10(18)16-6-8-17(9-7-16)15-13(19)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3,(H,15,19)
InChIKey
XTOKQKWTUYYVAO-UHFFFAOYSA-N
Compound name
N-(4-acetylpiperazin-1-yl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

90
Patents

265.12265 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12993 160.9
[M+Na]+ 288.11187 170.6
[M+NH4]+ 283.15647 166.5
[M+K]+ 304.08581 165.6
[M-H]- 264.11537 161.5
[M+Na-2H]- 286.09732 165.7
[M]+ 265.12210 161.9
[M]- 265.12320 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe