CID 3080090

Benzamide, 2-hydroxy-5-(1h-imidazol-4-ylmethyl)-

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC(=C(C=C1CC2=CN=CN2)C(=O)N)O
InChI
InChI=1S/C11H11N3O2/c12-11(16)9-4-7(1-2-10(9)15)3-8-5-13-6-14-8/h1-2,4-6,15H,3H2,(H2,12,16)(H,13,14)
InChIKey
PCZBZLIVMVUXLV-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(1H-imidazol-5-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 146.7
[M+Na]+ 240.074348 154.5
[M-H]- 216.077854 148.4
[M+NH4]+ 235.118953 162.3
[M+K]+ 256.048288 150.1
[M+H-H2O]+ 200.082390 139.0
[M+HCOO]- 262.083331 167.4
[M+CH3COO]- 276.098981 184.1
[M+Na-2H]- 238.059796 149.8
[M]+ 217.08458142 143.5
[M]- 217.08567858 143.5
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