CID 15130194

4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbothioamide

Structural Information

Molecular Formula
C7H9N3S3
SMILES
C=CCN1C(=C(SC1=S)C(=S)N)N
InChI
InChI=1S/C7H9N3S3/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11)
InChIKey
AKJRCBQXRLLJSO-UHFFFAOYSA-N
Compound name
4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.99586 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00314 145.3
[M+Na]+ 253.98508 155.0
[M-H]- 229.98858 146.2
[M+NH4]+ 249.02968 163.2
[M+K]+ 269.95902 146.4
[M+H-H2O]+ 213.99312 139.3
[M+HCOO]- 275.99406 152.0
[M+CH3COO]- 290.00971 192.4
[M+Na-2H]- 251.97053 141.4
[M]+ 230.99531 142.9
[M]- 230.99641 142.9
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.