CID 40572060

82695-93-0

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC[C@@]1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKey
OQPLORUDZLXXPD-LBPRGKRZSA-N
Compound name
(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

304
Patents

234.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 150.6
[M+Na]+ 257.089668 160.1
[M-H]- 233.093174 152.9
[M+NH4]+ 252.134273 168.6
[M+K]+ 273.063608 156.0
[M+H-H2O]+ 217.097710 144.3
[M+HCOO]- 279.098651 169.0
[M+CH3COO]- 293.114301 185.7
[M+Na-2H]- 255.075116 152.8
[M]+ 234.09990142 149.1
[M]- 234.10099858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe