CID 64048

Benzoyleneurea

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)NC(=O)N2

InChI

InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

InChIKey

SDQJTWBNWQABLE-UHFFFAOYSA-N

Compound name

1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 52
References: 6386
Patents: 162.04292 Da
Monoisotopic Mass: 0.8
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]+	163.05020	129.6
[M+Na]+	185.03214	144.2
[M+NH4]+	180.07674	137.3
[M+K]+	201.00608	138.1
[M-H]-	161.03564	130.1
[M+Na-2H]-	183.01759	136.4
[M]+	162.04237	131.7
[M]-	162.04347	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe