CID 9317168

923881-51-0

Structural Information

Molecular Formula
C12H8N2O3S
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C12H8N2O3S/c1-6-10-7(12(15)16)5-8(9-3-2-4-18-9)13-11(10)17-14-6/h2-5H,1H3,(H,15,16)
InChIKey
QCHINKJFVLQVEW-UHFFFAOYSA-N
Compound name
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.02557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03285 154.4
[M+Na]+ 283.01479 167.9
[M+NH4]+ 278.05939 162.3
[M+K]+ 298.98873 164.5
[M-H]- 259.01829 157.8
[M+Na-2H]- 281.00024 159.8
[M]+ 260.02502 157.8
[M]- 260.02612 157.8
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