CID 56655

93568-41-3

Structural Information

Molecular Formula
C13H19NO4
SMILES
CN1CC(C2=CC(=C(C(=C2C1)OC)OC)OC)O
InChI
InChI=1S/C13H19NO4/c1-14-6-9-8(10(15)7-14)5-11(16-2)13(18-4)12(9)17-3/h5,10,15H,6-7H2,1-4H3
InChIKey
STIWXYGQENKGTE-UHFFFAOYSA-N
Compound name
6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 156.1
[M+Na]+ 276.12063 165.0
[M-H]- 252.12413 158.4
[M+NH4]+ 271.16523 173.2
[M+K]+ 292.09457 163.2
[M+H-H2O]+ 236.12867 149.5
[M+HCOO]- 298.12961 174.2
[M+CH3COO]- 312.14526 195.9
[M+Na-2H]- 274.10608 159.7
[M]+ 253.13086 159.8
[M]- 253.13196 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.