CID 41817

Dtxsid40971684

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1C2=CC(=C(C=C2CCN1CC=C)OC)OC
InChI
InChI=1S/C15H21NO2/c1-5-7-16-8-6-12-9-14(17-3)15(18-4)10-13(12)11(16)2/h5,9-11H,1,6-8H2,2-4H3
InChIKey
IPBZWOHTYPFMTH-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.7
[M+Na]+ 270.146448 165.8
[M-H]- 246.149954 160.6
[M+NH4]+ 265.191053 175.5
[M+K]+ 286.120388 162.5
[M+H-H2O]+ 230.154490 150.5
[M+HCOO]- 292.155431 176.5
[M+CH3COO]- 306.171081 198.0
[M+Na-2H]- 268.131896 161.1
[M]+ 247.15668142 159.8
[M]- 247.15777858 159.8
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

No patent data available for this compound.