CID 3000591

2-(phenylamino)-2-thioxoacetamide

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1=CC=C(C=C1)NC(=S)C(=O)N
InChI
InChI=1S/C8H8N2OS/c9-7(11)8(12)10-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12)
InChIKey
OXZFBJIZFIIAKX-UHFFFAOYSA-N
Compound name
2-anilino-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

180.03574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 136.9
[M+Na]+ 203.02496 143.2
[M-H]- 179.02846 140.1
[M+NH4]+ 198.06956 156.2
[M+K]+ 218.99890 140.1
[M+H-H2O]+ 163.03300 130.6
[M+HCOO]- 225.03394 156.2
[M+CH3COO]- 239.04959 181.8
[M+Na-2H]- 201.01041 139.7
[M]+ 180.03519 134.6
[M]- 180.03629 134.6
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

patents stripe