CID 98906

Rhodanine, 3-(o-ethoxyphenyl)-

Structural Information

Molecular Formula
C11H11NO2S2
SMILES
CCOC1=CC=CC=C1N2C(=O)CSC2=S
InChI
InChI=1S/C11H11NO2S2/c1-2-14-9-6-4-3-5-8(9)12-10(13)7-16-11(12)15/h3-6H,2,7H2,1H3
InChIKey
QGQURYGYARADIP-UHFFFAOYSA-N
Compound name
3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.02312 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03040 153.2
[M+Na]+ 276.01234 162.9
[M-H]- 252.01584 159.0
[M+NH4]+ 271.05694 171.9
[M+K]+ 291.98628 158.0
[M+H-H2O]+ 236.02038 147.3
[M+HCOO]- 298.02132 165.5
[M+CH3COO]- 312.03697 190.5
[M+Na-2H]- 273.99779 151.2
[M]+ 253.02257 155.8
[M]- 253.02367 155.8
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.