CID 2459153

796084-60-1

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]+ 298.107376 166.4
[M+Na]+ 320.089318 177.0
[M-H]- 296.092824 173.5
[M+NH4]+ 315.133923 181.6
[M+K]+ 336.063258 174.1
[M+H-H2O]+ 280.097360 159.0
[M+HCOO]- 342.098301 188.0
[M+CH3COO]- 356.113951 201.6
[M+Na-2H]- 318.074766 170.5
[M]+ 297.09955142 172.8
[M]- 297.10064858 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.