CID 6379531

Stk443913

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CCCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C13H14N2O2S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(16)15-13(18)14-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,18)/b11-8+
InChIKey
PCRPNZUOEKIRBO-DHZHZOJOSA-N
Compound name
(5E)-5-[(4-propoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 160.1
[M+Na]+ 285.06682 168.2
[M-H]- 261.07032 161.7
[M+NH4]+ 280.11142 175.4
[M+K]+ 301.04076 161.6
[M+H-H2O]+ 245.07486 153.2
[M+HCOO]- 307.07580 173.1
[M+CH3COO]- 321.09145 188.1
[M+Na-2H]- 283.05227 158.1
[M]+ 262.07705 158.4
[M]- 262.07815 158.4
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.