CID 6446510

Brn 0923198

Structural Information

Molecular Formula
C18H16N2OS
SMILES
CC1=CC(=CC=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3C
InChI
InChI=1S/C18H16N2OS/c1-12-6-5-8-14(10-12)11-15-17(21)20(18(22)19-15)16-9-4-3-7-13(16)2/h3-11H,1-2H3,(H,19,22)/b15-11-
InChIKey
OZZLUNRCWCLTDC-PTNGSMBKSA-N
Compound name
(5Z)-3-(2-methylphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09833 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 172.9
[M+Na]+ 331.08755 182.8
[M-H]- 307.09105 179.6
[M+NH4]+ 326.13215 187.3
[M+K]+ 347.06149 174.7
[M+H-H2O]+ 291.09559 165.0
[M+HCOO]- 353.09653 187.2
[M+CH3COO]- 367.11218 183.8
[M+Na-2H]- 329.07300 169.7
[M]+ 308.09778 171.8
[M]- 308.09888 171.8
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.