CID 9588955

(e)-2-(1-(2,5-dimethyl-3-thienyl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C9H13N3S2
SMILES
CC1=CC(=C(S1)C)/C(=N/NC(=S)N)/C
InChI
InChI=1S/C9H13N3S2/c1-5-4-8(7(3)14-5)6(2)11-12-9(10)13/h4H,1-3H3,(H3,10,12,13)/b11-6+
InChIKey
WZOHBKHSXOMUNG-IZZDOVSWSA-N
Compound name
[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05508 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06236 149.6
[M+Na]+ 250.04430 156.8
[M-H]- 226.04780 154.1
[M+NH4]+ 245.08890 169.8
[M+K]+ 266.01824 152.4
[M+H-H2O]+ 210.05234 142.9
[M+HCOO]- 272.05328 165.0
[M+CH3COO]- 286.06893 197.3
[M+Na-2H]- 248.02975 147.5
[M]+ 227.05453 149.7
[M]- 227.05563 149.7
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.