CID 3121212

Ethyl 2-[(6-chloro-2-oxo-4-phenyl-2h-chromen-7-yl)oxy]propanoate

Structural Information

Molecular Formula
C20H17ClO5
SMILES
CCOC(=O)C(C)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C20H17ClO5/c1-3-24-20(23)12(2)25-18-11-17-15(9-16(18)21)14(10-19(22)26-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKey
UDMVXRUFKPOANX-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

372.07645 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08373 183.0
[M+Na]+ 395.06567 192.5
[M-H]- 371.06917 191.8
[M+NH4]+ 390.11027 195.8
[M+K]+ 411.03961 189.3
[M+H-H2O]+ 355.07371 175.2
[M+HCOO]- 417.07465 199.0
[M+CH3COO]- 431.09030 216.1
[M+Na-2H]- 393.05112 186.3
[M]+ 372.07590 192.0
[M]- 372.07700 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe