CID 3080077

127170-83-6

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃

SMILES

CC(C1=C(C(=C(C=C1)O)C(=O)N)O)C2=CN=CN2

InChI

InChI=1S/C12H13N3O3/c1-6(8-4-14-5-15-8)7-2-3-9(16)10(11(7)17)12(13)18/h2-6,16-17H,1H3,(H2,13,18)(H,14,15)

InChIKey

CHFWPCAHZPVJMD-UHFFFAOYSA-N

Compound name

2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.09569 Da
Monoisotopic Mass: 1.6
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]+	248.102966	154.9
[M+Na]+	270.084908	162.2
[M-H]-	246.088414	155.6
[M+NH4]+	265.129513	168.7
[M+K]+	286.058848	158.0
[M+H-H2O]+	230.092950	147.5
[M+HCOO]-	292.093891	172.8
[M+CH3COO]-	306.109541	189.3
[M+Na-2H]-	268.070356	155.2
[M]+	247.09514142	151.4
[M]-	247.09623858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe