CID 3080087

2-hydroxy-n-(2-hydroxyethyl)-3-((1h-imidazol-4-yl)methyl)benzamide hydrochloride

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1=CC(=C(C(=C1)C(=O)NCCO)O)CC2=CN=CN2
InChI
InChI=1S/C13H15N3O3/c17-5-4-15-13(19)11-3-1-2-9(12(11)18)6-10-7-14-8-16-10/h1-3,7-8,17-18H,4-6H2,(H,14,16)(H,15,19)
InChIKey
VRBFHORQAQRNDN-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-3-(1H-imidazol-5-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.11133 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 158.4
[M+Na]+ 284.10055 164.6
[M-H]- 260.10405 158.8
[M+NH4]+ 279.14515 171.6
[M+K]+ 300.07449 159.9
[M+H-H2O]+ 244.10859 150.2
[M+HCOO]- 306.10953 177.6
[M+CH3COO]- 320.12518 189.9
[M+Na-2H]- 282.08600 161.1
[M]+ 261.11078 156.2
[M]- 261.11188 156.2
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