CID 1825239

3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCO
InChI
InChI=1S/C11H12N2O3/c14-7-3-6-13-10(15)8-4-1-2-5-9(8)12-11(13)16/h1-2,4-5,14H,3,6-7H2,(H,12,16)
InChIKey
BGROOOIKCQMMFL-UHFFFAOYSA-N
Compound name
3-(3-hydroxypropyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.5
[M+Na]+ 243.07402 160.3
[M+NH4]+ 238.11862 153.0
[M+K]+ 259.04796 154.2
[M-H]- 219.07752 146.4
[M+Na-2H]- 241.05947 151.7
[M]+ 220.08425 148.2
[M]- 220.08535 148.2
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

No patent data available for this compound.