CID 1278179

2-(4-phenylpiperazin-1-yl)-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C19H20F3N3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C19H20F3N3O/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKey
CCQNMQPDEUYZDR-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

363.15585 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16313 185.2
[M+Na]+ 386.14507 189.4
[M-H]- 362.14857 186.9
[M+NH4]+ 381.18967 193.6
[M+K]+ 402.11901 183.2
[M+H-H2O]+ 346.15311 171.6
[M+HCOO]- 408.15405 197.6
[M+CH3COO]- 422.16970 215.7
[M+Na-2H]- 384.13052 186.9
[M]+ 363.15530 176.2
[M]- 363.15640 176.2
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