CID 67143888

3-desbenzoyl-3-hydroxybenzyl nepafenac

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC(=C2N)CC(=O)N)O
InChI
InChI=1S/C15H16N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8,15,19H,9,17H2,(H2,16,18)
InChIKey
LXWNZCRPDAGUHQ-UHFFFAOYSA-N
Compound name
2-[2-amino-3-[hydroxy(phenyl)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

256.1212 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 159.3
[M+Na]+ 279.110418 164.8
[M-H]- 255.113924 163.8
[M+NH4]+ 274.155023 174.1
[M+K]+ 295.084358 160.7
[M+H-H2O]+ 239.118460 151.7
[M+HCOO]- 301.119401 181.2
[M+CH3COO]- 315.135051 198.9
[M+Na-2H]- 277.095866 161.1
[M]+ 256.12065142 155.2
[M]- 256.12174858 155.2
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