CID 3061216

Brn 4530043

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C19H17NO4/c1-12(19(21)22)13-3-5-14(6-4-13)17-11-18(24-20-17)15-7-9-16(23-2)10-8-15/h3-12H,1-2H3,(H,21,22)
InChIKey
OTPFGKBQCHSDBS-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.9
[M+Na]+ 346.10497 188.9
[M+NH4]+ 341.14957 181.5
[M+K]+ 362.07891 185.1
[M-H]- 322.10847 180.3
[M+Na-2H]- 344.09042 182.7
[M]+ 323.11520 178.4
[M]- 323.11630 178.4
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.