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 154.1
[M+Na]+ 283.01479 166.9
[M-H]- 259.01829 161.0
[M+NH4]+ 278.05939 172.2
[M+K]+ 298.98873 164.1
[M+H-H2O]+ 243.02283 148.8
[M+HCOO]- 305.02377 172.3
[M+CH3COO]- 319.03942 168.2
[M+Na-2H]- 281.00024 155.9
[M]+ 260.02502 161.1
[M]- 260.02612 161.1
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