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]+ 269.07768 163.2
[M+Na]+ 291.05962 172.1
[M-H]- 267.06312 167.5
[M+NH4]+ 286.10422 182.1
[M+K]+ 307.03356 167.1
[M+H-H2O]+ 251.06766 158.1
[M+HCOO]- 313.06860 171.0
[M+CH3COO]- 327.08425 194.2
[M+Na-2H]- 289.04507 154.5
[M]+ 268.06985 162.0
[M]- 268.07095 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.