CID 3080079

Benzamide, 6-hydroxy-3-(1h-imidazol-4-ylmethyl)-2-methyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=C(C=CC(=C1C(=O)N)O)CC2=CN=CN2

InChI

InChI=1S/C12H13N3O2/c1-7-8(4-9-5-14-6-15-9)2-3-10(16)11(7)12(13)17/h2-3,5-6,16H,4H2,1H3,(H2,13,17)(H,14,15)

InChIKey

ZXEKSWQEBROHOR-UHFFFAOYSA-N

Compound name

6-hydroxy-3-(1H-imidazol-5-ylmethyl)-2-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 231.10077 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.108046	151.6
[M+Na]+	254.089988	159.9
[M-H]-	230.093494	153.5
[M+NH4]+	249.134593	166.9
[M+K]+	270.063928	155.2
[M+H-H2O]+	214.098030	143.9
[M+HCOO]-	276.098971	171.9
[M+CH3COO]-	290.114621	188.3
[M+Na-2H]-	252.075436	153.4
[M]+	231.10022142	149.1
[M]-	231.10131858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe