CID 16227532

3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C15H12N2O3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)O
InChI
InChI=1S/C15H12N2O3/c1-8-3-5-10(6-4-8)12-7-11(15(18)19)13-9(2)17-20-14(13)16-12/h3-7H,1-2H3,(H,18,19)
InChIKey
FFNXSDCQMBWROW-UHFFFAOYSA-N
Compound name
3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 158.8
[M+Na]+ 291.07400 174.6
[M+NH4]+ 286.11860 166.1
[M+K]+ 307.04794 170.5
[M-H]- 267.07750 162.8
[M+Na-2H]- 289.05945 165.8
[M]+ 268.08423 162.3
[M]- 268.08533 162.3
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

No patent data available for this compound.