CID 5354104

[(z)-(4-ethylsulfonylphenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C10H13N3O2S2
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C10H13N3O2S2/c1-2-17(14,15)9-5-3-8(4-6-9)7-12-13-10(11)16/h3-7H,2H2,1H3,(H3,11,13,16)/b12-7-
InChIKey
VUSKMERTTCJJPM-GHXNOFRVSA-N
Compound name
[(Z)-(4-ethylsulfonylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.04492 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05220 158.4
[M+Na]+ 294.03414 164.7
[M-H]- 270.03764 162.0
[M+NH4]+ 289.07874 174.3
[M+K]+ 310.00808 159.1
[M+H-H2O]+ 254.04218 150.8
[M+HCOO]- 316.04312 173.2
[M+CH3COO]- 330.05877 201.2
[M+Na-2H]- 292.01959 160.7
[M]+ 271.04437 158.7
[M]- 271.04547 158.7
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.