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

12
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

literature stripe

Patent stripe

patents stripe