CID 211732

Rhodanine, 3-veratryl-

Structural Information

Molecular Formula
C12H13NO3S2
SMILES
COC1=C(C=C(C=C1)CN2C(=O)CSC2=S)OC
InChI
InChI=1S/C12H13NO3S2/c1-15-9-4-3-8(5-10(9)16-2)6-13-11(14)7-18-12(13)17/h3-5H,6-7H2,1-2H3
InChIKey
GEAXYSILQKHIOI-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.0337 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04098 160.4
[M+Na]+ 306.02292 170.1
[M-H]- 282.02642 166.2
[M+NH4]+ 301.06752 178.0
[M+K]+ 321.99686 165.4
[M+H-H2O]+ 266.03096 154.4
[M+HCOO]- 328.03190 172.5
[M+CH3COO]- 342.04755 196.6
[M+Na-2H]- 304.00837 157.6
[M]+ 283.03315 165.1
[M]- 283.03425 165.1
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

patents stripe