CID 6272150

[(e)-(4-nitro-2-thienyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C6H6N4O2S2
SMILES
C1=C(SC=C1[N+](=O)[O-])/C=N/NC(=S)N
InChI
InChI=1S/C6H6N4O2S2/c7-6(13)9-8-2-5-1-4(3-14-5)10(11)12/h1-3H,(H3,7,9,13)/b8-2+
InChIKey
LFUNUOPRSFFTFT-KRXBUXKQSA-N
Compound name
[(E)-(4-nitrothiophen-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.99323 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00051 142.2
[M+Na]+ 252.98245 147.9
[M-H]- 228.98595 146.2
[M+NH4]+ 248.02705 160.4
[M+K]+ 268.95639 139.6
[M+H-H2O]+ 212.99049 139.2
[M+HCOO]- 274.99143 160.4
[M+CH3COO]- 289.00708 187.1
[M+Na-2H]- 250.96790 145.4
[M]+ 229.99268 138.8
[M]- 229.99378 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.