CID 6450576

4-imidazolidinone, 3-(2-methylbenzoyl)-5-(phenylmethylene)-2-thioxo-

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]+ 323.084876 176.0
[M+Na]+ 345.066818 184.7
[M-H]- 321.070324 182.4
[M+NH4]+ 340.111423 189.2
[M+K]+ 361.040758 177.2
[M+H-H2O]+ 305.074860 167.9
[M+HCOO]- 367.075801 189.6
[M+CH3COO]- 381.091451 186.2
[M+Na-2H]- 343.052266 172.5
[M]+ 322.07705142 174.4
[M]- 322.07814858 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.