CID 3080083

127170-88-1

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

C1=CC(=C(C(=C1)C(=O)NO)O)CC2=CN=CN2

InChI

InChI=1S/C11H11N3O3/c15-10-7(4-8-5-12-6-13-8)2-1-3-9(10)11(16)14-17/h1-3,5-6,15,17H,4H2,(H,12,13)(H,14,16)

InChIKey

IWOPANNYYOYBCK-UHFFFAOYSA-N

Compound name

N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.08005 Da
Monoisotopic Mass: 1.0
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]+	234.087326	149.6
[M+Na]+	256.069268	156.8
[M-H]-	232.072774	150.4
[M+NH4]+	251.113873	164.0
[M+K]+	272.043208	152.5
[M+H-H2O]+	216.077310	141.8
[M+HCOO]-	278.078251	169.5
[M+CH3COO]-	292.093901	183.9
[M+Na-2H]-	254.054716	153.3
[M]+	233.07950142	146.8
[M]-	233.08059858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe