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

6
Patents

261.11133 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 158.4
[M+Na]+ 284.100548 164.6
[M-H]- 260.104054 158.8
[M+NH4]+ 279.145153 171.6
[M+K]+ 300.074488 159.9
[M+H-H2O]+ 244.108590 150.2
[M+HCOO]- 306.109531 177.6
[M+CH3COO]- 320.125181 189.9
[M+Na-2H]- 282.085996 161.1
[M]+ 261.11078142 156.2
[M]- 261.11187858 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