CID 207444

Brn 0808531

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
CC1CN(C(=O)NC1=O)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O3/c1-8-6-15(12(17)14-11(8)16)18-7-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,16,17)
InChIKey
LUYHJBLFMRMYEW-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methoxy]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 157.5
[M+Na]+ 291.05068 166.2
[M-H]- 267.05418 160.0
[M+NH4]+ 286.09528 171.5
[M+K]+ 307.02462 161.1
[M+H-H2O]+ 251.05872 149.8
[M+HCOO]- 313.05966 170.3
[M+CH3COO]- 327.07531 192.9
[M+Na-2H]- 289.03613 159.9
[M]+ 268.06091 157.2
[M]- 268.06201 157.2
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.