CID 744540

Stl412132

Structural Information

Molecular Formula
C13H14N2OS
SMILES
CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C13H14N2OS/c1-8(2)10-5-3-9(4-6-10)7-11-12(16)15-13(17)14-11/h3-8H,1-2H3,(H2,14,15,16,17)/b11-7+
InChIKey
UWDHAFPBOPNIDC-YRNVUSSQSA-N
Compound name
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.08269 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08997 157.0
[M+Na]+ 269.07191 165.0
[M-H]- 245.07541 158.7
[M+NH4]+ 264.11651 173.0
[M+K]+ 285.04585 158.4
[M+H-H2O]+ 229.07995 150.4
[M+HCOO]- 291.08089 168.8
[M+CH3COO]- 305.09654 186.8
[M+Na-2H]- 267.05736 153.7
[M]+ 246.08214 153.3
[M]- 246.08324 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.