CID 6450576

3-o-methylbenzoyl-5-benzylidene-2-thiohydantoin

Structural Information

Molecular Formula
C18H14N2O2S
SMILES
CC1=CC=CC=C1C(=O)N2C(=O)/C(=C/C3=CC=CC=C3)/NC2=S
InChI
InChI=1S/C18H14N2O2S/c1-12-7-5-6-10-14(12)16(21)20-17(22)15(19-18(20)23)11-13-8-3-2-4-9-13/h2-11H,1H3,(H,19,23)/b15-11-
InChIKey
OKJGJFHYKXBDQU-PTNGSMBKSA-N
Compound name
(5Z)-5-benzylidene-3-(2-methylbenzoyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0776 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08488 176.0
[M+Na]+ 345.06682 184.7
[M-H]- 321.07032 182.4
[M+NH4]+ 340.11142 189.2
[M+K]+ 361.04076 177.2
[M+H-H2O]+ 305.07486 167.9
[M+HCOO]- 367.07580 189.6
[M+CH3COO]- 381.09145 186.2
[M+Na-2H]- 343.05227 172.5
[M]+ 322.07705 174.4
[M]- 322.07815 174.4
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.