CID 14306388

114875-62-6

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CO)O
InChI
InChI=1S/C19H17NO4/c21-13-16-11-17(22)18(12-20(16)23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19,21,23H,13H2
InChIKey
MAJNKCFGFYTFIP-UHFFFAOYSA-N
Compound name
5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

323.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 175.6
[M+Na]+ 346.10497 191.0
[M+NH4]+ 341.14957 182.3
[M+K]+ 362.07891 183.8
[M-H]- 322.10847 180.3
[M+Na-2H]- 344.09042 185.5
[M]+ 323.11520 179.1
[M]- 323.11630 179.1
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

patents stripe