CID 1616943

79851-69-7

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C
InChI
InChI=1S/C12H12N2OS/c1-8-3-5-9(6-4-8)7-10-11(15)14(2)12(16)13-10/h3-7H,1-2H3,(H,13,16)/b10-7-
InChIKey
FSYZMJMOPLMQSQ-YFHOEESVSA-N
Compound name
(5Z)-3-methyl-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 151.8
[M+Na]+ 255.056248 162.0
[M-H]- 231.059754 155.4
[M+NH4]+ 250.100853 169.5
[M+K]+ 271.030188 155.9
[M+H-H2O]+ 215.064290 145.3
[M+HCOO]- 277.065231 166.5
[M+CH3COO]- 291.080881 186.6
[M+Na-2H]- 253.041696 149.8
[M]+ 232.06648142 150.6
[M]- 232.06757858 150.6
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.