CID 3549429

68360-23-6

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=C(C=C2CCN=CC2=C1)OCC3=CC=CC=C3
InChI
InChI=1S/C17H17NO2/c1-19-16-10-15-11-18-8-7-14(15)9-17(16)20-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
InChIKey
ZIRDRQBTZSUXQD-UHFFFAOYSA-N
Compound name
7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

267.12592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 161.8
[M+Na]+ 290.11514 177.9
[M+NH4]+ 285.15974 171.3
[M+K]+ 306.08908 168.6
[M-H]- 266.11864 167.1
[M+Na-2H]- 288.10059 171.5
[M]+ 267.12537 165.8
[M]- 267.12647 165.8
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

patents stripe