CID 6481018

Akos009130410

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CC1=CC(=C(C=C1)C(=O)NC2=NC=CN=C2)O
InChI
InChI=1S/C12H11N3O2/c1-8-2-3-9(10(16)6-8)12(17)15-11-7-13-4-5-14-11/h2-7,16H,1H3,(H,14,15,17)
InChIKey
JTWPRHXTICEXHF-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 150.0
[M+Na]+ 252.07435 158.1
[M-H]- 228.07785 153.3
[M+NH4]+ 247.11895 164.2
[M+K]+ 268.04829 154.2
[M+H-H2O]+ 212.08239 141.4
[M+HCOO]- 274.08333 171.6
[M+CH3COO]- 288.09898 189.6
[M+Na-2H]- 250.05980 156.7
[M]+ 229.08458 149.1
[M]- 229.08568 149.1
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

No patent data available for this compound.