CID 3022683

Iysueatzwrpjfi-uhfffaoysa-n

Structural Information

Molecular Formula
C12H16N2OS2
SMILES
CC(=C1C(=O)N(C(=S)S1)C)C=C2CCCN2C
InChI
InChI=1S/C12H16N2OS2/c1-8(7-9-5-4-6-13(9)2)10-11(15)14(3)12(16)17-10/h7H,4-6H2,1-3H3
InChIKey
IYSUEATZWRPJFI-UHFFFAOYSA-N
Compound name
3-methyl-5-[1-(1-methylpyrrolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0704 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.077676 163.2
[M+Na]+ 291.059618 172.1
[M-H]- 267.063124 167.5
[M+NH4]+ 286.104223 182.1
[M+K]+ 307.033558 167.1
[M+H-H2O]+ 251.067660 158.1
[M+HCOO]- 313.068601 171.0
[M+CH3COO]- 327.084251 194.2
[M+Na-2H]- 289.045066 154.5
[M]+ 268.06985142 162.0
[M]- 268.07094858 162.0
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.