CID 3000587

2-(4-aminoanilino)-2-thioxo-acetamide

Structural Information

Molecular Formula
C8H9N3OS
SMILES
C1=CC(=CC=C1N)NC(=S)C(=O)N
InChI
InChI=1S/C8H9N3OS/c9-5-1-3-6(4-2-5)11-8(13)7(10)12/h1-4H,9H2,(H2,10,12)(H,11,13)
InChIKey
DSGKZMQOCABGLM-UHFFFAOYSA-N
Compound name
2-(4-aminoanilino)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 140.5
[M+Na]+ 218.03585 146.8
[M-H]- 194.03935 143.4
[M+NH4]+ 213.08045 158.8
[M+K]+ 234.00979 143.2
[M+H-H2O]+ 178.04389 133.8
[M+HCOO]- 240.04483 160.0
[M+CH3COO]- 254.06048 187.7
[M+Na-2H]- 216.02130 142.0
[M]+ 195.04608 136.7
[M]- 195.04718 136.7
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.