CID 9574750

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

Structural Information

Molecular Formula
C12H18N4O2S2
SMILES
CCCCNS(=O)(=O)C1=CC=C(C=C1)/C=N/NC(=S)N
InChI
InChI=1S/C12H18N4O2S2/c1-2-3-8-15-20(17,18)11-6-4-10(5-7-11)9-14-16-12(13)19/h4-7,9,15H,2-3,8H2,1H3,(H3,13,16,19)/b14-9+
InChIKey
ISWPYHSHUCKFCF-NTEUORMPSA-N
Compound name
[(E)-[4-(butylsulfamoyl)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.08713 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09441 168.8
[M+Na]+ 337.07635 173.3
[M-H]- 313.07985 171.7
[M+NH4]+ 332.12095 182.6
[M+K]+ 353.05029 167.1
[M+H-H2O]+ 297.08439 160.3
[M+HCOO]- 359.08533 183.8
[M+CH3COO]- 373.10098 212.3
[M+Na-2H]- 335.06180 171.3
[M]+ 314.08658 168.9
[M]- 314.08768 168.9
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.