CID 53637

Dtxsid30998527

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1C2=CC(=C(C=C2CCN1C(=O)C(C)C)OC)OC
InChI
InChI=1S/C16H23NO3/c1-10(2)16(18)17-7-6-12-8-14(19-4)15(20-5)9-13(12)11(17)3/h8-11H,6-7H2,1-5H3
InChIKey
XPMCMVZPSVQOJI-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 165.1
[M+Na]+ 300.157018 172.1
[M-H]- 276.160524 168.0
[M+NH4]+ 295.201623 181.5
[M+K]+ 316.130958 170.2
[M+H-H2O]+ 260.165060 157.9
[M+HCOO]- 322.166001 181.7
[M+CH3COO]- 336.181651 204.3
[M+Na-2H]- 298.142466 165.7
[M]+ 277.16725142 167.7
[M]- 277.16834858 167.7
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.