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]+ 324.123026 174.6
[M+Na]+ 346.104968 181.9
[M-H]- 322.108474 183.1
[M+NH4]+ 341.149573 186.7
[M+K]+ 362.078908 179.3
[M+H-H2O]+ 306.113010 166.0
[M+HCOO]- 368.113951 194.6
[M+CH3COO]- 382.129601 205.7
[M+Na-2H]- 344.090416 175.6
[M]+ 323.11520142 177.8
[M]- 323.11629858 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.