CID 6023343

(5e)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
COC1=CC=CC(=C1OC)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C12H12N2O3S/c1-16-9-5-3-4-7(10(9)17-2)6-8-11(15)14-12(18)13-8/h3-6H,1-2H3,(H2,13,14,15,18)/b8-6+
InChIKey
NPAOPHCMACMKSP-SOFGYWHQSA-N
Compound name
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.05685 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 158.8
[M+Na]+ 287.04607 168.0
[M-H]- 263.04957 160.9
[M+NH4]+ 282.09067 174.2
[M+K]+ 303.02001 162.1
[M+H-H2O]+ 247.05411 152.3
[M+HCOO]- 309.05505 172.3
[M+CH3COO]- 323.07070 188.5
[M+Na-2H]- 285.03152 156.7
[M]+ 264.05630 158.6
[M]- 264.05740 158.6
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.