CID 65794

Guafecainol

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCN(CC)CCOCC(COC1=CC=CC=C1OC)O
InChI
InChI=1S/C16H27NO4/c1-4-17(5-2)10-11-20-12-14(18)13-21-16-9-7-6-8-15(16)19-3/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKey
DHCZIHSQOICDAY-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethoxy]-3-(2-methoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

297.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 173.1
[M+Na]+ 320.183218 176.7
[M-H]- 296.186724 175.6
[M+NH4]+ 315.227823 187.9
[M+K]+ 336.157158 176.2
[M+H-H2O]+ 280.191260 165.2
[M+HCOO]- 342.192201 195.2
[M+CH3COO]- 356.207851 208.2
[M+Na-2H]- 318.168666 174.6
[M]+ 297.19345142 179.6
[M]- 297.19454858 179.6
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.