CID 3005234

Nsc684389

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
C1=CC=C(C=C1)CC(C2C(=O)NC(=S)N2)C3=CC=CO3
InChI
InChI=1S/C15H14N2O2S/c18-14-13(16-15(20)17-14)11(12-7-4-8-19-12)9-10-5-2-1-3-6-10/h1-8,11,13H,9H2,(H2,16,17,18,20)
InChIKey
GTSZNJCTZLYPHD-UHFFFAOYSA-N
Compound name
5-[1-(furan-2-yl)-2-phenylethyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 165.5
[M+Na]+ 309.06682 173.0
[M-H]- 285.07032 171.4
[M+NH4]+ 304.11142 179.9
[M+K]+ 325.04076 168.2
[M+H-H2O]+ 269.07486 158.9
[M+HCOO]- 331.07580 178.6
[M+CH3COO]- 345.09145 176.2
[M+Na-2H]- 307.05227 162.4
[M]+ 286.07705 163.6
[M]- 286.07815 163.6
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.