CID 3076638

Alpha-((2-(dimethylamino)ethoxy)methyl)-6-methoxy-2-naphthalenemethanol hydrochloride

Structural Information

Molecular Formula
C17H23NO3
SMILES
CN(C)CCOCC(C1=CC2=C(C=C1)C=C(C=C2)OC)O
InChI
InChI=1S/C17H23NO3/c1-18(2)8-9-21-12-17(19)15-5-4-14-11-16(20-3)7-6-13(14)10-15/h4-7,10-11,17,19H,8-9,12H2,1-3H3
InChIKey
JFTJTZUZDRCGAY-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(6-methoxynaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 168.9
[M+Na]+ 312.157018 174.3
[M-H]- 288.160524 172.9
[M+NH4]+ 307.201623 185.3
[M+K]+ 328.130958 172.5
[M+H-H2O]+ 272.165060 161.3
[M+HCOO]- 334.166001 190.2
[M+CH3COO]- 348.181651 207.8
[M+Na-2H]- 310.142466 172.6
[M]+ 289.16725142 173.5
[M]- 289.16834858 173.5
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.