CID 3080075

127170-82-5

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

C1=CC(=C(C(=C1CC2=CN=CN2)O)C(=O)N)O

InChI

InChI=1S/C11H11N3O3/c12-11(17)9-8(15)2-1-6(10(9)16)3-7-4-13-5-14-7/h1-2,4-5,15-16H,3H2,(H2,12,17)(H,13,14)

InChIKey

RDHFMLMZRQKWGW-UHFFFAOYSA-N

Compound name

2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 233.08005 Da
Monoisotopic Mass: 1.3
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	150.2
[M+Na]+	256.069268	158.2
[M-H]-	232.072774	150.9
[M+NH4]+	251.113873	164.5
[M+K]+	272.043208	153.6
[M+H-H2O]+	216.077310	142.7
[M+HCOO]-	278.078251	169.4
[M+CH3COO]-	292.093901	185.3
[M+Na-2H]-	254.054716	152.1
[M]+	233.07950142	146.9
[M]-	233.08059858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe