CID 3011430

Akos000207395

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=CC(=C(C=C1)O)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-9-4-5-12(16)11(7-9)13(17)15-10-3-2-6-14-8-10/h2-8,16H,1H3,(H,15,17)
InChIKey
KQWOGKFCZGEBQE-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methyl-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.8
[M+Na]+ 251.07909 157.4
[M-H]- 227.08259 154.3
[M+NH4]+ 246.12369 165.5
[M+K]+ 267.05303 153.6
[M+H-H2O]+ 211.08713 141.9
[M+HCOO]- 273.08807 172.4
[M+CH3COO]- 287.10372 189.8
[M+Na-2H]- 249.06454 155.8
[M]+ 228.08932 148.7
[M]- 228.09042 148.7
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

No patent data available for this compound.