CID 427965

Nsc226646

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC=C(C=C1)OC2=CC(=CC3=C2CN(CC3)C)OC
InChI
InChI=1S/C18H21NO2/c1-13-4-6-15(7-5-13)21-18-11-16(20-3)10-14-8-9-19(2)12-17(14)18/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey
OLSLMBONCIOWEE-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-8-(4-methylphenoxy)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.2
[M+Na]+ 306.14645 174.9
[M-H]- 282.14995 173.3
[M+NH4]+ 301.19105 183.0
[M+K]+ 322.12039 170.8
[M+H-H2O]+ 266.15449 158.2
[M+HCOO]- 328.15543 186.1
[M+CH3COO]- 342.17108 203.6
[M+Na-2H]- 304.13190 171.3
[M]+ 283.15668 168.3
[M]- 283.15778 168.3
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

No patent data available for this compound.