CID 90921

23405-68-7

Structural Information

Molecular Formula
C13H18N2OS2
SMILES
CCN1CCCC1=CC=C2C(=O)N(C(=S)S2)CC
InChI
InChI=1S/C13H18N2OS2/c1-3-14-9-5-6-10(14)7-8-11-12(16)15(4-2)13(17)18-11/h7-8H,3-6,9H2,1-2H3
InChIKey
KKACEFKPAJPBRW-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08606 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09334 167.1
[M+Na]+ 305.07528 176.0
[M-H]- 281.07878 171.2
[M+NH4]+ 300.11988 185.6
[M+K]+ 321.04922 170.3
[M+H-H2O]+ 265.08332 161.7
[M+HCOO]- 327.08426 175.8
[M+CH3COO]- 341.09991 196.3
[M+Na-2H]- 303.06073 158.9
[M]+ 282.08551 166.9
[M]- 282.08661 166.9
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.