CID 47646

65492-85-5

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1C2=CC(=C(C=C2CCN1C(C)C)OC)OC
InChI
InChI=1S/C15H23NO2/c1-10(2)16-7-6-12-8-14(17-4)15(18-5)9-13(12)11(16)3/h8-11H,6-7H2,1-5H3
InChIKey
XYZMYPVDTLUISQ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.0
[M+Na]+ 272.16210 166.6
[M-H]- 248.16560 162.1
[M+NH4]+ 267.20670 176.8
[M+K]+ 288.13604 164.4
[M+H-H2O]+ 232.17014 152.0
[M+HCOO]- 294.17108 176.6
[M+CH3COO]- 308.18673 199.7
[M+Na-2H]- 270.14755 161.3
[M]+ 249.17233 161.3
[M]- 249.17343 161.3
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.