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]+ 290.17508 168.9
[M+Na]+ 312.15702 174.3
[M-H]- 288.16052 172.9
[M+NH4]+ 307.20162 185.3
[M+K]+ 328.13096 172.5
[M+H-H2O]+ 272.16506 161.3
[M+HCOO]- 334.16600 190.2
[M+CH3COO]- 348.18165 207.8
[M+Na-2H]- 310.14247 172.6
[M]+ 289.16725 173.5
[M]- 289.16835 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.