CID 747439

3-ethylquinazoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H10N2O2/c1-2-12-9(13)7-5-3-4-6-8(7)11-10(12)14/h3-6H,2H2,1H3,(H,11,14)
InChIKey
LPMHWRUMVIPIGW-UHFFFAOYSA-N
Compound name
3-ethyl-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

44
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 137.3
[M+Na]+ 213.06345 148.7
[M-H]- 189.06695 138.7
[M+NH4]+ 208.10805 155.2
[M+K]+ 229.03739 144.3
[M+H-H2O]+ 173.07149 130.4
[M+HCOO]- 235.07243 158.1
[M+CH3COO]- 249.08808 180.6
[M+Na-2H]- 211.04890 145.7
[M]+ 190.07368 138.2
[M]- 190.07478 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe