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]+ 233.07431 151.8
[M+Na]+ 255.05625 162.0
[M-H]- 231.05975 155.4
[M+NH4]+ 250.10085 169.5
[M+K]+ 271.03019 155.9
[M+H-H2O]+ 215.06429 145.3
[M+HCOO]- 277.06523 166.5
[M+CH3COO]- 291.08088 186.6
[M+Na-2H]- 253.04170 149.8
[M]+ 232.06648 150.6
[M]- 232.06758 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.