CID 3370988

4-amino-n-cyclopentyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C11H17N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NC2CCCC2)N
InChI
InChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-7-5-3-4-6-7/h7H,2-6,12H2,1H3,(H,13,15)
InChIKey
JCWPKKMELPFIAT-UHFFFAOYSA-N
Compound name
4-amino-N-cyclopentyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0813 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08858 160.7
[M+Na]+ 294.07052 168.6
[M-H]- 270.07402 166.0
[M+NH4]+ 289.11512 179.7
[M+K]+ 310.04446 163.6
[M+H-H2O]+ 254.07856 154.7
[M+HCOO]- 316.07950 173.5
[M+CH3COO]- 330.09515 198.1
[M+Na-2H]- 292.05597 156.0
[M]+ 271.08075 159.9
[M]- 271.08185 159.9
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.