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 174.0
[M+Na]+ 346.10497 181.0
[M-H]- 322.10847 180.1
[M+NH4]+ 341.14957 184.7
[M+K]+ 362.07891 176.0
[M+H-H2O]+ 306.11301 164.3
[M+HCOO]- 368.11395 193.5
[M+CH3COO]- 382.12960 202.8
[M+Na-2H]- 344.09042 177.7
[M]+ 323.11520 174.3
[M]- 323.11630 174.3
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