CID 3062292

Brn 4576747

Structural Information

Molecular Formula
C19H15Cl2NO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H15Cl2NO4/c1-2-25-19-17(14-8-7-13(20)10-15(14)21)22-18(26-19)12-5-3-11(4-6-12)9-16(23)24/h3-8,10H,2,9H2,1H3,(H,23,24)
InChIKey
LRGDOGOVTUNHRT-UHFFFAOYSA-N
Compound name
2-[4-[4-(2,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04508 187.5
[M+Na]+ 414.02702 197.9
[M-H]- 390.03052 195.6
[M+NH4]+ 409.07162 198.9
[M+K]+ 430.00096 192.3
[M+H-H2O]+ 374.03506 179.9
[M+HCOO]- 436.03600 198.7
[M+CH3COO]- 450.05165 214.9
[M+Na-2H]- 412.01247 186.9
[M]+ 391.03725 195.7
[M]- 391.03835 195.7
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.