CID 34754

29903-68-2

Structural Information

Molecular Formula
C19H23NO2
SMILES
COC1=C(C=C2C(NCCC2=C1)CCC3=CC=CC=C3)OC
InChI
InChI=1S/C19H23NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13,17,20H,8-11H2,1-2H3
InChIKey
ZSTCPHVBMNDKEB-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

297.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.8
[M+Na]+ 320.16210 177.7
[M-H]- 296.16560 175.8
[M+NH4]+ 315.20670 185.9
[M+K]+ 336.13604 172.4
[M+H-H2O]+ 280.17014 162.7
[M+HCOO]- 342.17108 188.8
[M+CH3COO]- 356.18673 202.9
[M+Na-2H]- 318.14755 175.6
[M]+ 297.17233 171.0
[M]- 297.17343 171.0
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

patents stripe