CID 16641424

938001-71-9

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C15H12N2O4/c1-8-13-11(15(18)19)7-12(16-14(13)21-17-8)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,18,19)
InChIKey
BDPROYIKHJBWFQ-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.7
[M+Na]+ 307.06892 173.1
[M-H]- 283.07242 167.7
[M+NH4]+ 302.11352 176.0
[M+K]+ 323.04286 170.4
[M+H-H2O]+ 267.07696 153.7
[M+HCOO]- 329.07790 182.6
[M+CH3COO]- 343.09355 174.7
[M+Na-2H]- 305.05437 166.7
[M]+ 284.07915 167.9
[M]- 284.08025 167.9
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

No patent data available for this compound.