CID 2459153

3-[(dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C17H15NO4
SMILES
CC1=C(C(=NO1)C)COC2=CC3=CC=CC=C3C=C2C(=O)O
InChI
InChI=1S/C17H15NO4/c1-10-15(11(2)22-18-10)9-21-16-8-13-6-4-3-5-12(13)7-14(16)17(19)20/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey
SQTBGJCIHOCSKY-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

297.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 166.4
[M+Na]+ 320.08932 177.0
[M-H]- 296.09282 173.5
[M+NH4]+ 315.13392 181.6
[M+K]+ 336.06326 174.1
[M+H-H2O]+ 280.09736 159.0
[M+HCOO]- 342.09830 188.0
[M+CH3COO]- 356.11395 201.6
[M+Na-2H]- 318.07477 170.5
[M]+ 297.09955 172.8
[M]- 297.10065 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.