CID 53636

77280-40-1

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]+ 250.180156 159.2
[M+Na]+ 272.162098 167.0
[M-H]- 248.165604 162.1
[M+NH4]+ 267.206703 177.0
[M+K]+ 288.136038 164.3
[M+H-H2O]+ 232.170140 152.0
[M+HCOO]- 294.171081 177.8
[M+CH3COO]- 308.186731 198.8
[M+Na-2H]- 270.147546 162.6
[M]+ 249.17233142 162.1
[M]- 249.17342858 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.