CID 3062300

Brn 4572146

Structural Information

Molecular Formula
C20H18ClNO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClNO4/c1-3-25-20-18(14-8-10-16(21)11-9-14)22-19(26-20)15-6-4-13(5-7-15)12-17(23)24-2/h4-11H,3,12H2,1-2H3
InChIKey
PILJLESXWDZUFX-UHFFFAOYSA-N
Compound name
methyl 2-[4-[4-(4-chlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09244 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09972 186.6
[M+Na]+ 394.08166 195.9
[M-H]- 370.08516 196.3
[M+NH4]+ 389.12626 198.8
[M+K]+ 410.05560 191.8
[M+H-H2O]+ 354.08970 177.8
[M+HCOO]- 416.09064 204.1
[M+CH3COO]- 430.10629 214.2
[M+Na-2H]- 392.06711 187.2
[M]+ 371.09189 195.1
[M]- 371.09299 195.1
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.