CID 154699575

Ns00117332

Structural Information

Molecular Formula
C19H21NO4
SMILES
CNCCC(C1=CC=CO1)OC2=CC=CC3=C2C=CC(=C3O)OC
InChI
InChI=1S/C19H21NO4/c1-20-11-10-17(16-7-4-12-23-16)24-15-6-3-5-14-13(15)8-9-18(22-2)19(14)21/h3-9,12,17,20-21H,10-11H2,1-2H3
InChIKey
DVRXANQWPAEONA-UHFFFAOYSA-N
Compound name
5-[1-(furan-2-yl)-3-(methylamino)propoxy]-2-methoxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.1
[M+Na]+ 350.13628 183.5
[M-H]- 326.13978 183.6
[M+NH4]+ 345.18088 190.7
[M+K]+ 366.11022 181.0
[M+H-H2O]+ 310.14432 168.4
[M+HCOO]- 372.14526 199.1
[M+CH3COO]- 386.16091 209.4
[M+Na-2H]- 348.12173 180.4
[M]+ 327.14651 182.2
[M]- 327.14761 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.