CID 752645

618072-98-3

Structural Information

Molecular Formula
C9H13N3OS2
SMILES
CCNC(=O)C1=C(N(C(=S)S1)CC=C)N
InChI
InChI=1S/C9H13N3OS2/c1-3-5-12-7(10)6(15-9(12)14)8(13)11-4-2/h3H,1,4-5,10H2,2H3,(H,11,13)
InChIKey
ZYSOTOGHZLJIGB-UHFFFAOYSA-N
Compound name
4-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.057276 151.7
[M+Na]+ 266.039218 160.6
[M-H]- 242.042724 153.8
[M+NH4]+ 261.083823 169.9
[M+K]+ 282.013158 154.7
[M+H-H2O]+ 226.047260 145.3
[M+HCOO]- 288.048201 165.1
[M+CH3COO]- 302.063851 194.8
[M+Na-2H]- 264.024666 148.9
[M]+ 243.04945142 152.9
[M]- 243.05054858 152.9
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.