CID 46937079

(5e)-2-amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C9H7N3OS
SMILES
C1=CC=NC(=C1)/C=C/2\C(=O)N=C(S2)N
InChI
InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
InChIKey
LHGOQMPIWSCKBA-FNORWQNLSA-N
Compound name
(5E)-2-amino-5-(pyridin-2-ylmethylidene)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.03099 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03827 142.0
[M+Na]+ 228.02021 152.1
[M-H]- 204.02371 146.5
[M+NH4]+ 223.06481 160.4
[M+K]+ 243.99415 147.4
[M+H-H2O]+ 188.02825 134.7
[M+HCOO]- 250.02919 160.8
[M+CH3COO]- 264.04484 155.1
[M+Na-2H]- 226.00566 143.9
[M]+ 205.03044 141.2
[M]- 205.03154 141.2
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