CID 53533

76752-03-9

Structural Information

Molecular Formula
C18H15NO6
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)O
InChI
InChI=1S/C18H15NO6/c1-24-13-5-2-11(3-6-13)17(22)12-4-7-14-15(10-12)25-18(23)19(14)9-8-16(20)21/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKey
ZMENOIMIAJUPFX-UHFFFAOYSA-N
Compound name
3-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 174.6
[M+Na]+ 364.07916 184.3
[M-H]- 340.08266 181.6
[M+NH4]+ 359.12376 187.4
[M+K]+ 380.05310 182.1
[M+H-H2O]+ 324.08720 166.8
[M+HCOO]- 386.08814 195.4
[M+CH3COO]- 400.10379 208.6
[M+Na-2H]- 362.06461 177.3
[M]+ 341.08939 182.1
[M]- 341.09049 182.1
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.