CID 53636

6,7-dimethoxy-1-methyl-2-propyl-3,4-dihydro-1h-isoquinoline

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCN1CCC2=CC(=C(C=C2C1C)OC)OC
InChI
InChI=1S/C15H23NO2/c1-5-7-16-8-6-12-9-14(17-3)15(18-4)10-13(12)11(16)2/h9-11H,5-8H2,1-4H3
InChIKey
QUINYXBLBBTXOG-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.2
[M+Na]+ 272.16210 167.0
[M-H]- 248.16560 162.1
[M+NH4]+ 267.20670 177.0
[M+K]+ 288.13604 164.3
[M+H-H2O]+ 232.17014 152.0
[M+HCOO]- 294.17108 177.8
[M+CH3COO]- 308.18673 198.8
[M+Na-2H]- 270.14755 162.6
[M]+ 249.17233 162.1
[M]- 249.17343 162.1
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.