CID 17955446

Unii-g5dd38seme

Structural Information

Molecular Formula
C17H18ClNO4
SMILES
COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)O)O
InChI
InChI=1S/C17H18ClNO4/c1-23-15-10-11(2-7-14(15)20)8-9-19-17(22)16(21)12-3-5-13(18)6-4-12/h2-7,10,16,20-21H,8-9H2,1H3,(H,19,22)
InChIKey
IEKPXXSTLVFKGI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

14
Patents

335.09244 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09972 175.0
[M+Na]+ 358.08166 181.6
[M-H]- 334.08516 179.2
[M+NH4]+ 353.12626 187.9
[M+K]+ 374.05560 176.5
[M+H-H2O]+ 318.08970 168.3
[M+HCOO]- 380.09064 191.0
[M+CH3COO]- 394.10629 207.0
[M+Na-2H]- 356.06711 176.2
[M]+ 335.09189 178.0
[M]- 335.09299 178.0
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.