CID 139596233

Dtxsid901028579

Structural Information

Molecular Formula
C23H24ClNO4
SMILES
COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)OCC#C)OCC=C
InChI
InChI=1S/C23H24ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h2,4,6-11,16,22H,1,12-15H2,3H3,(H,25,26)
InChIKey
NIKVRAQEPYQAAH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

413.13937 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14665 199.5
[M+Na]+ 436.12859 207.7
[M-H]- 412.13209 202.9
[M+NH4]+ 431.17319 208.9
[M+K]+ 452.10253 199.9
[M+H-H2O]+ 396.13663 185.5
[M+HCOO]- 458.13757 211.3
[M+CH3COO]- 472.15322 230.1
[M+Na-2H]- 434.11404 197.3
[M]+ 413.13882 200.3
[M]- 413.13992 200.3
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.