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

3
Patents

249.07495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08223 150.8
[M+Na]+ 272.06417 159.5
[M-H]- 248.06767 154.7
[M+NH4]+ 267.10877 167.8
[M+K]+ 288.03811 152.2
[M+H-H2O]+ 232.07221 148.8
[M+HCOO]- 294.07315 171.9
[M+CH3COO]- 308.08880 184.0
[M+Na-2H]- 270.04962 156.4
[M]+ 249.07440 147.9
[M]- 249.07550 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