CID 6448058

111223-98-4

Structural Information

Molecular Formula
C16H10ClN3O4
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H10ClN3O4/c17-11-3-7-12(8-4-11)19-15(21)14(18-16(19)22)9-10-1-5-13(6-2-10)20(23)24/h1-9H,(H,18,22)/b14-9-
InChIKey
OICCYDNIOIEXDL-ZROIWOOFSA-N
Compound name
(5Z)-3-(4-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]+ 344.043256 178.0
[M+Na]+ 366.025198 185.7
[M-H]- 342.028704 184.2
[M+NH4]+ 361.069803 189.2
[M+K]+ 381.999138 174.6
[M+H-H2O]+ 326.033240 173.8
[M+HCOO]- 388.034181 193.8
[M+CH3COO]- 402.049831 199.1
[M+Na-2H]- 364.010646 180.0
[M]+ 343.03543142 175.4
[M]- 343.03652858 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.