CID 3054222

Hydantoin, 5,5-dimethyl-3-(p-nitrophenyl)-

Structural Information

Molecular Formula
C11H11N3O4
SMILES
CC1(C(=O)N(C(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C11H11N3O4/c1-11(2)9(15)13(10(16)12-11)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,16)
InChIKey
IMXPYWYBIKKZRU-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.07495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.082226 150.8
[M+Na]+ 272.064168 159.5
[M-H]- 248.067674 154.7
[M+NH4]+ 267.108773 167.8
[M+K]+ 288.038108 152.2
[M+H-H2O]+ 232.072210 148.8
[M+HCOO]- 294.073151 171.9
[M+CH3COO]- 308.088801 184.0
[M+Na-2H]- 270.049616 156.4
[M]+ 249.07440142 147.9
[M]- 249.07549858 147.9
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

patents stripe