CID 6450578

3-o-methylbenzoyl-5-(4'-chlorobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C18H13ClN2O2S
SMILES
CC1=CC=CC=C1C(=O)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C18H13ClN2O2S/c1-11-4-2-3-5-14(11)16(22)21-17(23)15(20-18(21)24)10-12-6-8-13(19)9-7-12/h2-10H,1H3,(H,20,24)/b15-10-
InChIKey
YMLXVWODRLARJU-GDNBJRDFSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylbenzoyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.03864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04592 182.6
[M+Na]+ 379.02786 192.7
[M-H]- 355.03136 189.2
[M+NH4]+ 374.07246 195.6
[M+K]+ 395.00180 183.8
[M+H-H2O]+ 339.03590 175.2
[M+HCOO]- 401.03684 191.4
[M+CH3COO]- 415.05249 192.7
[M+Na-2H]- 377.01331 178.0
[M]+ 356.03809 183.4
[M]- 356.03919 183.4
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.