CID 6435778

Hydantoin, 3-(o-chlorophenyl)-5-(p-nitrobenzylidene)-

Structural Information

Molecular Formula
C16H10ClN3O4
SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/NC2=O)Cl
InChI
InChI=1S/C16H10ClN3O4/c17-12-3-1-2-4-14(12)19-15(21)13(18-16(19)22)9-10-5-7-11(8-6-10)20(23)24/h1-9H,(H,18,22)/b13-9+
InChIKey
IZLYWMJBZXLOMI-UKTHLTGXSA-N
Compound name
(5E)-3-(2-chlorophenyl)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.03598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04326 178.0
[M+Na]+ 366.02520 185.7
[M-H]- 342.02870 184.2
[M+NH4]+ 361.06980 189.2
[M+K]+ 381.99914 174.6
[M+H-H2O]+ 326.03324 173.8
[M+HCOO]- 388.03418 193.8
[M+CH3COO]- 402.04983 199.1
[M+Na-2H]- 364.01065 180.0
[M]+ 343.03543 175.4
[M]- 343.03653 175.4
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

No patent data available for this compound.