CID 64112

Diproqualone

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC(CO)O
InChI
InChI=1S/C12H14N2O3/c1-8-13-11-5-3-2-4-10(11)12(17)14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3
InChIKey
NTGLQWGMESPVBV-UHFFFAOYSA-N
Compound name
3-(2,3-dihydroxypropyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

234.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.0
[M+Na]+ 257.08967 160.3
[M-H]- 233.09317 150.7
[M+NH4]+ 252.13427 166.3
[M+K]+ 273.06361 156.3
[M+H-H2O]+ 217.09771 143.8
[M+HCOO]- 279.09865 168.6
[M+CH3COO]- 293.11430 188.0
[M+Na-2H]- 255.07512 156.7
[M]+ 234.09990 152.3
[M]- 234.10100 152.3
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

No patent data available for this compound.