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 145.6
[M+Na]+ 243.07402 155.9
[M-H]- 219.07752 145.4
[M+NH4]+ 238.11862 161.4
[M+K]+ 259.04796 151.0
[M+H-H2O]+ 203.08206 138.4
[M+HCOO]- 265.08300 164.6
[M+CH3COO]- 279.09865 183.4
[M+Na-2H]- 241.05947 152.9
[M]+ 220.08425 146.4
[M]- 220.08535 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.