CID 199652

4662-18-4

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCN(CC)CC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H23NO2/c1-3-18(4-2)12-15(19)13-20-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15,19H,3-4,12-13H2,1-2H3
InChIKey
DIVDBWIIXNIKDQ-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.1
[M+Na]+ 296.16210 170.7
[M-H]- 272.16560 169.7
[M+NH4]+ 291.20670 182.8
[M+K]+ 312.13604 168.2
[M+H-H2O]+ 256.17014 158.5
[M+HCOO]- 318.17108 187.2
[M+CH3COO]- 332.18673 204.6
[M+Na-2H]- 294.14755 170.3
[M]+ 273.17233 168.8
[M]- 273.17343 168.8
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

patents stripe