CID 3019301

Dtxsid501166567

Structural Information

Molecular Formula
C12H18N2OS3
SMILES
CCCCN1C(=O)C(=C2N(CCS2)CC)SC1=S
InChI
InChI=1S/C12H18N2OS3/c1-3-5-6-14-10(15)9(18-12(14)16)11-13(4-2)7-8-17-11/h3-8H2,1-2H3
InChIKey
WCVARNXWMKUGKY-UHFFFAOYSA-N
Compound name
3-butyl-5-(3-ethyl-1,3-thiazolidin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05814 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06542 168.2
[M+Na]+ 325.04736 177.3
[M-H]- 301.05086 171.7
[M+NH4]+ 320.09196 185.7
[M+K]+ 341.02130 171.0
[M+H-H2O]+ 285.05540 163.5
[M+HCOO]- 347.05634 171.4
[M+CH3COO]- 361.07199 200.1
[M+Na-2H]- 323.03281 159.9
[M]+ 302.05759 168.2
[M]- 302.05869 168.2
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.