CID 5274891

3-hydroxy-n-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

Structural Information

Molecular Formula
C14H11F3N2O2
SMILES
C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(21)12-11(20)2-1-7-18-12/h1-7,20H,8H2,(H,19,21)
InChIKey
IDRHEWJWVLVWIG-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

296.07727 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08455 163.2
[M+Na]+ 319.06649 171.0
[M-H]- 295.06999 163.6
[M+NH4]+ 314.11109 176.0
[M+K]+ 335.04043 166.0
[M+H-H2O]+ 279.07453 152.6
[M+HCOO]- 341.07547 180.6
[M+CH3COO]- 355.09112 200.7
[M+Na-2H]- 317.05194 167.6
[M]+ 296.07672 158.5
[M]- 296.07782 158.5
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