CID 52876

1,3-dichloro-5,5-di(p-tolyl)hydantoin

Structural Information

Molecular Formula
C17H14Cl2N2O2
SMILES
CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2Cl)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C17H14Cl2N2O2/c1-11-3-7-13(8-4-11)17(14-9-5-12(2)6-10-14)15(22)20(18)16(23)21(17)19/h3-10H,1-2H3
InChIKey
IUEJQVWYVVUZAX-UHFFFAOYSA-N
Compound name
1,3-dichloro-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.04324 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05052 176.0
[M+Na]+ 371.03246 188.4
[M-H]- 347.03596 183.4
[M+NH4]+ 366.07706 192.0
[M+K]+ 387.00640 181.0
[M+H-H2O]+ 331.04050 168.1
[M+HCOO]- 393.04144 186.9
[M+CH3COO]- 407.05709 187.7
[M+Na-2H]- 369.01791 175.7
[M]+ 348.04269 179.8
[M]- 348.04379 179.8
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