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 174.6
[M+Na]+ 346.10497 181.9
[M-H]- 322.10847 183.1
[M+NH4]+ 341.14957 186.7
[M+K]+ 362.07891 179.3
[M+H-H2O]+ 306.11301 166.0
[M+HCOO]- 368.11395 194.6
[M+CH3COO]- 382.12960 205.7
[M+Na-2H]- 344.09042 175.6
[M]+ 323.11520 177.8
[M]- 323.11630 177.8
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.