CID 9574719

[(e)-[4-(diethylsulfamoyl)phenyl]methyleneamino]thiourea

Structural Information

Molecular Formula
C12H18N4O2S2
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=N/NC(=S)N
InChI
InChI=1S/C12H18N4O2S2/c1-3-16(4-2)20(17,18)11-7-5-10(6-8-11)9-14-15-12(13)19/h5-9H,3-4H2,1-2H3,(H3,13,15,19)/b14-9+
InChIKey
NHXKHYYSRGWNDB-NTEUORMPSA-N
Compound name
[(E)-[4-(diethylsulfamoyl)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.08713 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09441 170.3
[M+Na]+ 337.07635 174.8
[M-H]- 313.07985 174.7
[M+NH4]+ 332.12095 184.6
[M+K]+ 353.05029 170.1
[M+H-H2O]+ 297.08439 161.6
[M+HCOO]- 359.08533 185.6
[M+CH3COO]- 373.10098 215.4
[M+Na-2H]- 335.06180 172.0
[M]+ 314.08658 171.6
[M]- 314.08768 171.6
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.