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]+ 358.08406 181.7
[M+Na]+ 380.06600 190.9
[M-H]- 356.06950 190.2
[M+NH4]+ 375.11060 193.7
[M+K]+ 396.03994 186.2
[M+H-H2O]+ 340.07404 173.4
[M+HCOO]- 402.07498 198.0
[M+CH3COO]- 416.09063 209.6
[M+Na-2H]- 378.05145 182.5
[M]+ 357.07623 188.1
[M]- 357.07733 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.