CID 2726555

1137-65-1

Structural Information

Molecular Formula
C10H7N3OS
SMILES
C1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N
InChI
InChI=1S/C10H7N3OS/c11-6-8-9(14)13-15-10(8)12-7-4-2-1-3-5-7/h1-5,12H,(H,13,14)
InChIKey
GHXPCAXQBVCFNU-UHFFFAOYSA-N
Compound name
5-anilino-3-oxo-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

17
Patents

217.03099 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03827 152.4
[M+Na]+ 240.02021 164.0
[M-H]- 216.02371 156.6
[M+NH4]+ 235.06481 169.1
[M+K]+ 255.99415 158.4
[M+H-H2O]+ 200.02825 138.9
[M+HCOO]- 262.02919 168.6
[M+CH3COO]- 276.04484 163.6
[M+Na-2H]- 238.00566 154.7
[M]+ 217.03044 147.4
[M]- 217.03154 147.4
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