CID 139597123

Dtxsid201028578

Structural Information

Molecular Formula
C19H18ClNO4
SMILES
C#CCOC(C1=CC=C(C=C1)Cl)C(=O)NCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C19H18ClNO4/c1-2-11-25-18(14-4-6-15(20)7-5-14)19(24)21-10-9-13-3-8-16(22)17(23)12-13/h1,3-8,12,18,22-23H,9-11H2,(H,21,24)
InChIKey
SOBDGHQSQPRREQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

359.09244 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09972 180.5
[M+Na]+ 382.08166 192.1
[M+NH4]+ 377.12626 183.0
[M+K]+ 398.05560 182.8
[M-H]- 358.08516 174.8
[M+Na-2H]- 380.06711 183.0
[M]+ 359.09189 179.8
[M]- 359.09299 179.8
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

No patent data available for this compound.