CID 853055

303091-72-7

Structural Information

Molecular Formula
C18H18F3N3O
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=C3F
InChI
InChI=1S/C18H18F3N3O/c19-14-6-5-13(11-16(14)21)22-18(25)12-23-7-9-24(10-8-23)17-4-2-1-3-15(17)20/h1-6,11H,7-10,12H2,(H,22,25)
InChIKey
YZBLPDKTIKBFDS-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1402 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14748 181.6
[M+Na]+ 372.12942 187.7
[M-H]- 348.13292 183.9
[M+NH4]+ 367.17402 191.0
[M+K]+ 388.10336 181.1
[M+H-H2O]+ 332.13746 167.9
[M+HCOO]- 394.13840 195.9
[M+CH3COO]- 408.15405 215.3
[M+Na-2H]- 370.11487 181.4
[M]+ 349.13965 173.8
[M]- 349.14075 173.8
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.