CID 56515

93002-92-7

Structural Information

Molecular Formula
C12H13BrN2O3
SMILES
CC1(C(=O)N(C(=O)N1)CCO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H13BrN2O3/c1-12(8-2-4-9(13)5-3-8)10(17)15(6-7-16)11(18)14-12/h2-5,16H,6-7H2,1H3,(H,14,18)
InChIKey
NWJFKFOVMWWCNK-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-3-(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.01096 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01824 159.0
[M+Na]+ 335.00018 171.1
[M-H]- 311.00368 163.8
[M+NH4]+ 330.04478 177.5
[M+K]+ 350.97412 158.7
[M+H-H2O]+ 295.00822 158.9
[M+HCOO]- 357.00916 175.2
[M+CH3COO]- 371.02481 195.3
[M+Na-2H]- 332.98563 162.5
[M]+ 312.01041 176.4
[M]- 312.01151 176.4
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.