CID 3061212

78868-42-5

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C18H15NO4/c1-22-15-8-6-14(7-9-15)17-11-16(19-23-17)13-4-2-12(3-5-13)10-18(20)21/h2-9,11H,10H2,1H3,(H,20,21)
InChIKey
FIJWMQYTEREMKF-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 170.0
[M+Na]+ 332.089318 178.0
[M-H]- 308.092824 178.5
[M+NH4]+ 327.133923 182.7
[M+K]+ 348.063258 175.1
[M+H-H2O]+ 292.097360 161.3
[M+HCOO]- 354.098301 191.4
[M+CH3COO]- 368.113951 201.8
[M+Na-2H]- 330.074766 172.6
[M]+ 309.09955142 173.4
[M]- 309.10064858 173.4
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.