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]+ 221.092076 145.6
[M+Na]+ 243.074018 155.9
[M-H]- 219.077524 145.4
[M+NH4]+ 238.118623 161.4
[M+K]+ 259.047958 151.0
[M+H-H2O]+ 203.082060 138.4
[M+HCOO]- 265.083001 164.6
[M+CH3COO]- 279.098651 183.4
[M+Na-2H]- 241.059466 152.9
[M]+ 220.08425142 146.4
[M]- 220.08534858 146.4
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.