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]+ 254.138686 156.1
[M+Na]+ 276.120628 165.0
[M-H]- 252.124134 158.4
[M+NH4]+ 271.165233 173.2
[M+K]+ 292.094568 163.2
[M+H-H2O]+ 236.128670 149.5
[M+HCOO]- 298.129611 174.2
[M+CH3COO]- 312.145261 195.9
[M+Na-2H]- 274.106076 159.7
[M]+ 253.13086142 159.8
[M]- 253.13195858 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.