CID 46861578

Gtx-758

Structural Information

Molecular Formula
C19H13F2NO3
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)O)F)O
InChI
InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H
InChIKey
FBCQEUMZZNVQKD-UHFFFAOYSA-N
Compound name
3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

92
Patents

341.08636 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09364 176.3
[M+Na]+ 364.07558 183.9
[M-H]- 340.07908 182.7
[M+NH4]+ 359.12018 188.2
[M+K]+ 380.04952 179.0
[M+H-H2O]+ 324.08362 165.5
[M+HCOO]- 386.08456 196.3
[M+CH3COO]- 400.10021 212.2
[M+Na-2H]- 362.06103 177.6
[M]+ 341.08581 173.6
[M]- 341.08691 173.6
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