CID 35914

31756-15-7

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC=CC=C3)OC
InChI
InChI=1S/C18H21NO2/c1-20-17-10-15-8-9-19(12-14-6-4-3-5-7-14)13-16(15)11-18(17)21-2/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKey
CAWSVFVFDPTCOZ-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

283.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.1
[M+Na]+ 306.14645 173.9
[M-H]- 282.14995 172.7
[M+NH4]+ 301.19105 182.5
[M+K]+ 322.12039 169.7
[M+H-H2O]+ 266.15449 157.9
[M+HCOO]- 328.15543 186.0
[M+CH3COO]- 342.17108 202.4
[M+Na-2H]- 304.13190 171.9
[M]+ 283.15668 167.8
[M]- 283.15778 167.8
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