CID 18322931

232596-44-0

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
C1=CC=NC(=C1)NC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C9H7N3O2S/c13-8(14)6-5-15-9(11-6)12-7-3-1-2-4-10-7/h1-5H,(H,13,14)(H,10,11,12)
InChIKey
BPCKVRSSTCYOCV-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

221.0259 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 144.0
[M+Na]+ 244.01512 152.8
[M-H]- 220.01862 147.7
[M+NH4]+ 239.05972 160.9
[M+K]+ 259.98906 149.1
[M+H-H2O]+ 204.02316 136.6
[M+HCOO]- 266.02410 162.4
[M+CH3COO]- 280.03975 183.6
[M+Na-2H]- 242.00057 147.4
[M]+ 221.02535 144.9
[M]- 221.02645 144.9
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

patents stripe