CID 41817

56254-46-7

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]+ 248.16451 157.7
[M+Na]+ 270.14645 165.8
[M-H]- 246.14995 160.6
[M+NH4]+ 265.19105 175.5
[M+K]+ 286.12039 162.5
[M+H-H2O]+ 230.15449 150.5
[M+HCOO]- 292.15543 176.5
[M+CH3COO]- 306.17108 198.0
[M+Na-2H]- 268.13190 161.1
[M]+ 247.15668 159.8
[M]- 247.15778 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.