CID 135905110

170966-09-3

Structural Information

Molecular Formula

C₁₁H₉N₃O₃

SMILES

C1=CC(=CC=C1C(=O)N=N)N2C(=CC=C2O)O

InChI

InChI=1S/C11H9N3O3/c12-13-11(17)7-1-3-8(4-2-7)14-9(15)5-6-10(14)16/h1-6,12,15-16H

InChIKey

WPXKMTAMJQFGEO-UHFFFAOYSA-N

Compound name

4-(2,5-dihydroxypyrrol-1-yl)-N-iminobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 231.06439 Da
Monoisotopic Mass: 2.8
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]+	232.07167	149.7
[M+Na]+	254.05361	160.2
[M+NH4]+	249.09821	155.9
[M+K]+	270.02755	157.8
[M-H]-	230.05711	152.0
[M+Na-2H]-	252.03906	155.9
[M]+	231.06384	151.4
[M]-	231.06494	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe