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

literature stripe

Patent stripe

patents stripe