CID 471872

35042-48-9

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CCC2=C(C1)C(=O)NC(=O)N2
InChI
InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H2,(H2,9,10,11,12)
InChIKey
DRLMXVMLMGPVRC-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

166.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.0
[M+Na]+ 189.06345 140.8
[M-H]- 165.06695 131.2
[M+NH4]+ 184.10805 149.7
[M+K]+ 205.03739 136.4
[M+H-H2O]+ 149.07149 125.4
[M+HCOO]- 211.07243 149.0
[M+CH3COO]- 225.08808 171.6
[M+Na-2H]- 187.04890 139.6
[M]+ 166.07368 127.1
[M]- 166.07478 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe