CID 3062301

Brn 4581845

Structural Information

Molecular Formula
C20H17Cl2NO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H17Cl2NO4/c1-3-26-20-18(14-8-9-15(21)16(22)11-14)23-19(27-20)13-6-4-12(5-7-13)10-17(24)25-2/h4-9,11H,3,10H2,1-2H3
InChIKey
YREWZSFOWKVVAC-UHFFFAOYSA-N
Compound name
methyl 2-[4-[4-(3,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.05347 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.06075 192.6
[M+Na]+ 428.04269 203.1
[M-H]- 404.04619 201.8
[M+NH4]+ 423.08729 204.2
[M+K]+ 444.01663 198.0
[M+H-H2O]+ 388.05073 184.4
[M+HCOO]- 450.05167 204.8
[M+CH3COO]- 464.06732 219.4
[M+Na-2H]- 426.02814 191.8
[M]+ 405.05292 202.7
[M]- 405.05402 202.7
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.