CID 3022010

Brn 5552651

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)Cl)OC)C
InChI
InChI=1S/C12H13ClN2O3/c1-12(2)10(16)15(11(17)14-12)7-4-5-8(13)9(6-7)18-3/h4-6H,1-3H3,(H,14,17)
InChIKey
XGZPOKBDYDVGBS-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 154.9
[M+Na]+ 291.05068 166.4
[M-H]- 267.05418 158.7
[M+NH4]+ 286.09528 173.3
[M+K]+ 307.02462 161.4
[M+H-H2O]+ 251.05872 149.0
[M+HCOO]- 313.05966 170.1
[M+CH3COO]- 327.07531 193.2
[M+Na-2H]- 289.03613 156.5
[M]+ 268.06091 157.4
[M]- 268.06201 157.4
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.