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]+ 288.159406 166.7
[M+Na]+ 310.141348 172.1
[M-H]- 286.144854 172.4
[M+NH4]+ 305.185953 181.3
[M+K]+ 326.115288 171.3
[M+H-H2O]+ 270.149390 158.8
[M+HCOO]- 332.150331 184.0
[M+CH3COO]- 346.165981 205.7
[M+Na-2H]- 308.126796 174.1
[M]+ 287.15158142 168.9
[M]- 287.15267858 168.9
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.