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

11
Patents

217.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.7
[M+Na]+ 240.07435 154.5
[M-H]- 216.07785 148.4
[M+NH4]+ 235.11895 162.3
[M+K]+ 256.04829 150.1
[M+H-H2O]+ 200.08239 139.0
[M+HCOO]- 262.08333 167.4
[M+CH3COO]- 276.09898 184.1
[M+Na-2H]- 238.05980 149.8
[M]+ 217.08458 143.5
[M]- 217.08568 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