CID 207443

30060-48-1

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
C1CN(C(=O)NC1=O)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O3/c12-9-3-1-8(2-4-9)7-17-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
InChIKey
HZFNYXNSDUOVJV-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04582 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.053096 152.9
[M+Na]+ 277.035038 161.2
[M-H]- 253.038544 155.2
[M+NH4]+ 272.079643 167.2
[M+K]+ 293.008978 156.2
[M+H-H2O]+ 237.043080 145.2
[M+HCOO]- 299.044021 166.2
[M+CH3COO]- 313.059671 188.7
[M+Na-2H]- 275.020486 156.6
[M]+ 254.04527142 151.9
[M]- 254.04636858 151.9
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.