CID 3062291

Brn 4561114

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO4/c1-2-24-19-17(13-7-9-15(20)10-8-13)21-18(25-19)14-5-3-12(4-6-14)11-16(22)23/h3-10H,2,11H2,1H3,(H,22,23)
InChIKey
PSSWJQOFBPYECU-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-chlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.084056 181.7
[M+Na]+ 380.065998 190.9
[M-H]- 356.069504 190.2
[M+NH4]+ 375.110603 193.7
[M+K]+ 396.039938 186.2
[M+H-H2O]+ 340.074040 173.4
[M+HCOO]- 402.074981 198.0
[M+CH3COO]- 416.090631 209.6
[M+Na-2H]- 378.051446 182.5
[M]+ 357.07623142 188.1
[M]- 357.07732858 188.1
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.