CID 3070971

87213-01-2

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3CN2)OC)OC
InChI
InChI=1S/C18H21NO2/c1-12-4-6-13(7-5-12)16-8-14-9-17(20-2)18(21-3)10-15(14)11-19-16/h4-7,9-10,16,19H,8,11H2,1-3H3
InChIKey
BMKPXUDEKGWJJN-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 167.5
[M+Na]+ 306.14645 174.8
[M-H]- 282.14995 172.1
[M+NH4]+ 301.19105 182.5
[M+K]+ 322.12039 169.8
[M+H-H2O]+ 266.15449 158.8
[M+HCOO]- 328.15543 184.9
[M+CH3COO]- 342.17108 201.2
[M+Na-2H]- 304.13190 171.2
[M]+ 283.15668 166.8
[M]- 283.15778 166.8
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