CID 172094499

1-(3-hydroxy-2-methylphenyl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=C(C=CC=C1O)N2CCC(=O)NC2=O
InChI
InChI=1S/C11H12N2O3/c1-7-8(3-2-4-9(7)14)13-6-5-10(15)12-11(13)16/h2-4,14H,5-6H2,1H3,(H,12,15,16)
InChIKey
DWQMVDVCGYUHIB-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-2-methylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

220.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 148.5
[M+Na]+ 243.074018 156.6
[M-H]- 219.077524 150.1
[M+NH4]+ 238.118623 162.9
[M+K]+ 259.047958 152.4
[M+H-H2O]+ 203.082060 140.8
[M+HCOO]- 265.083001 164.8
[M+CH3COO]- 279.098651 183.8
[M+Na-2H]- 241.059466 151.3
[M]+ 220.08425142 144.0
[M]- 220.08534858 144.0
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.