CID 11474256

Cga-380778

Structural Information

Molecular Formula
C20H20ClNO4
SMILES
COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)O)OCC#C
InChI
InChI=1S/C20H20ClNO4/c1-3-12-26-17-9-4-14(13-18(17)25-2)10-11-22-20(24)19(23)15-5-7-16(21)8-6-15/h1,4-9,13,19,23H,10-12H2,2H3,(H,22,24)
InChIKey
CRJKRYZJRZIPJS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

35
Patents

373.1081 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11538 188.7
[M+Na]+ 396.09732 197.5
[M-H]- 372.10082 191.5
[M+NH4]+ 391.14192 199.1
[M+K]+ 412.07126 190.2
[M+H-H2O]+ 356.10536 175.6
[M+HCOO]- 418.10630 199.9
[M+CH3COO]- 432.12195 220.8
[M+Na-2H]- 394.08277 187.6
[M]+ 373.10755 187.6
[M]- 373.10865 187.6
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.