CID 1448810

763126-53-0

Structural Information

Molecular Formula
C19H22FN3O
SMILES
CC1=C(C=C(C=C1)F)NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H22FN3O/c1-15-7-8-16(20)13-18(15)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey
FOBUSVZERUNMSS-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.17468 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.181956 179.2
[M+Na]+ 350.163898 183.8
[M-H]- 326.167404 183.8
[M+NH4]+ 345.208503 189.4
[M+K]+ 366.137838 178.0
[M+H-H2O]+ 310.171940 167.2
[M+HCOO]- 372.172881 195.4
[M+CH3COO]- 386.188531 211.7
[M+Na-2H]- 348.149346 180.6
[M]+ 327.17413142 173.4
[M]- 327.17522858 173.4
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.