CID 30024

20226-05-5

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC=CC=C3)OC
InChI
InChI=1S/C18H21NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12,16,19H,8-10H2,1-2H3
InChIKey
HWNSTGWDEVWFNH-UHFFFAOYSA-N
Compound name
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.2
[M+Na]+ 306.14645 173.6
[M-H]- 282.14995 171.5
[M+NH4]+ 301.19105 181.9
[M+K]+ 322.12039 168.5
[M+H-H2O]+ 266.15449 158.4
[M+HCOO]- 328.15543 184.6
[M+CH3COO]- 342.17108 177.6
[M+Na-2H]- 304.13190 171.6
[M]+ 283.15668 166.1
[M]- 283.15778 166.1
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