CID 3057388

Piperazineethanol, 4-phenyl-, n-(3-trifluoromethoxyphenyl)anthranilate, hydrochloride

Structural Information

Molecular Formula
C26H26F3N3O3
SMILES
C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C26H26F3N3O3/c27-26(28,29)35-22-10-6-7-20(19-22)30-24-12-5-4-11-23(24)25(33)34-18-17-31-13-15-32(16-14-31)21-8-2-1-3-9-21/h1-12,19,30H,13-18H2
InChIKey
DRKFGXIGWCTHOD-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethoxy)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.19263 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.19991 216.1
[M+Na]+ 508.18185 218.7
[M-H]- 484.18535 220.3
[M+NH4]+ 503.22645 218.7
[M+K]+ 524.15579 212.0
[M+H-H2O]+ 468.18989 199.9
[M+HCOO]- 530.19083 227.4
[M+CH3COO]- 544.20648 237.6
[M+Na-2H]- 506.16730 216.2
[M]+ 485.19208 209.9
[M]- 485.19318 209.9
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

No patent data available for this compound.