CID 3063614

2-(n-(2-hydroxyethyl)methylaminomethyl)-naphtho(2,3-b)-p-dioxan

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN(CCC1COC2=CC3=CC=CC=C3C=C2O1)CCO
InChI
InChI=1S/C17H21NO3/c1-18(8-9-19)7-6-15-12-20-16-10-13-4-2-3-5-14(13)11-17(16)21-15/h2-5,10-11,15,19H,6-9,12H2,1H3
InChIKey
DUCCQFHDBYNWJX-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.4
[M+Na]+ 310.14135 180.4
[M+NH4]+ 305.18595 176.3
[M+K]+ 326.11529 173.3
[M-H]- 286.14485 173.9
[M+Na-2H]- 308.12680 171.7
[M]+ 287.15158 171.2
[M]- 287.15268 171.2
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.