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

114
Patents

297.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 173.1
[M+Na]+ 320.18322 176.7
[M-H]- 296.18672 175.6
[M+NH4]+ 315.22782 187.9
[M+K]+ 336.15716 176.2
[M+H-H2O]+ 280.19126 165.2
[M+HCOO]- 342.19220 195.2
[M+CH3COO]- 356.20785 208.2
[M+Na-2H]- 318.16867 174.6
[M]+ 297.19345 179.6
[M]- 297.19455 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.