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]+ 244.05728 151.7
[M+Na]+ 266.03922 160.6
[M-H]- 242.04272 153.8
[M+NH4]+ 261.08382 169.9
[M+K]+ 282.01316 154.7
[M+H-H2O]+ 226.04726 145.3
[M+HCOO]- 288.04820 165.1
[M+CH3COO]- 302.06385 194.8
[M+Na-2H]- 264.02467 148.9
[M]+ 243.04945 152.9
[M]- 243.05055 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.