CID 3067288

6-carbamidobenzoxazolinone-2

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

C1=CC2=C(C=C1NC(=O)N)OC(=O)N2

InChI

InChI=1S/C8H7N3O3/c9-7(12)10-4-1-2-5-6(3-4)14-8(13)11-5/h1-3H,(H,11,13)(H3,9,10,12)

InChIKey

ZBOYCVVPACPLDZ-UHFFFAOYSA-N

Compound name

(2-oxo-3H-1,3-benzoxazol-6-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.04874 Da
Monoisotopic Mass: -0.2
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]+	194.056016	135.3
[M+Na]+	216.037958	145.4
[M-H]-	192.041464	138.8
[M+NH4]+	211.082563	153.8
[M+K]+	232.011898	143.3
[M+H-H2O]+	176.046000	129.0
[M+HCOO]-	238.046941	160.0
[M+CH3COO]-	252.062591	182.3
[M+Na-2H]-	214.023406	143.3
[M]+	193.04819142	135.7
[M]-	193.04928858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe