CID 25350

Memotine

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=CC=C(C=C1)OCC2=NCCC3=CC=CC=C32
InChI
InChI=1S/C17H17NO2/c1-19-14-6-8-15(9-7-14)20-12-17-16-5-3-2-4-13(16)10-11-18-17/h2-9H,10-12H2,1H3
InChIKey
NOCSCLPQKGWLDB-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1380
Patents

267.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 161.1
[M+Na]+ 290.11514 168.5
[M-H]- 266.11864 166.9
[M+NH4]+ 285.15974 176.9
[M+K]+ 306.08908 164.2
[M+H-H2O]+ 250.12318 151.9
[M+HCOO]- 312.12412 181.8
[M+CH3COO]- 326.13977 172.8
[M+Na-2H]- 288.10059 168.2
[M]+ 267.12537 162.4
[M]- 267.12647 162.4
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.