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]+ 328.18196 179.2
[M+Na]+ 350.16390 183.8
[M-H]- 326.16740 183.8
[M+NH4]+ 345.20850 189.4
[M+K]+ 366.13784 178.0
[M+H-H2O]+ 310.17194 167.2
[M+HCOO]- 372.17288 195.4
[M+CH3COO]- 386.18853 211.7
[M+Na-2H]- 348.14935 180.6
[M]+ 327.17413 173.4
[M]- 327.17523 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.