CID 5274056

Chembl4559588

Structural Information

Molecular Formula
C15H12N2O3
SMILES
COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)O
InChI
InChI=1S/C15H12N2O3/c1-20-12-6-7-13(14(18)8-12)15(19)17-11-4-2-10(9-16)3-5-11/h2-8,18H,1H3,(H,17,19)
InChIKey
YDOBFTYIPAWRTM-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)-2-hydroxy-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 165.3
[M+Na]+ 291.07400 174.9
[M-H]- 267.07750 169.8
[M+NH4]+ 286.11860 178.9
[M+K]+ 307.04794 170.1
[M+H-H2O]+ 251.08204 151.4
[M+HCOO]- 313.08298 184.7
[M+CH3COO]- 327.09863 208.3
[M+Na-2H]- 289.05945 168.3
[M]+ 268.08423 160.6
[M]- 268.08533 160.6
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

No patent data available for this compound.