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]+ 255.05310 152.9
[M+Na]+ 277.03504 161.2
[M-H]- 253.03854 155.2
[M+NH4]+ 272.07964 167.2
[M+K]+ 293.00898 156.2
[M+H-H2O]+ 237.04308 145.2
[M+HCOO]- 299.04402 166.2
[M+CH3COO]- 313.05967 188.7
[M+Na-2H]- 275.02049 156.6
[M]+ 254.04527 151.9
[M]- 254.04637 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.