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]+ 349.050516 176.0
[M+Na]+ 371.032458 188.4
[M-H]- 347.035964 183.4
[M+NH4]+ 366.077063 192.0
[M+K]+ 387.006398 181.0
[M+H-H2O]+ 331.040500 168.1
[M+HCOO]- 393.041441 186.9
[M+CH3COO]- 407.057091 187.7
[M+Na-2H]- 369.017906 175.7
[M]+ 348.04269142 179.8
[M]- 348.04378858 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