CID 3076879

1-isoquinolineethanamine, 3,4-dihydro-6,7-dimethoxy-n,n,3,3-tetramethyl-, dihydriodide

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1(CC2=CC(=C(C=C2C(=N1)CCN(C)C)OC)OC)C
InChI
InChI=1S/C17H26N2O2/c1-17(2)11-12-9-15(20-5)16(21-6)10-13(12)14(18-17)7-8-19(3)4/h9-10H,7-8,11H2,1-6H3
InChIKey
CNEIYEIEFMSGPV-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 169.3
[M+Na]+ 313.188648 177.5
[M-H]- 289.192154 174.0
[M+NH4]+ 308.233253 187.9
[M+K]+ 329.162588 175.8
[M+H-H2O]+ 273.196690 161.8
[M+HCOO]- 335.197631 190.2
[M+CH3COO]- 349.213281 212.3
[M+Na-2H]- 311.174096 173.6
[M]+ 290.19888142 175.2
[M]- 290.19997858 175.2
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.