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]+ 291.20671 169.3
[M+Na]+ 313.18865 177.5
[M-H]- 289.19215 174.0
[M+NH4]+ 308.23325 187.9
[M+K]+ 329.16259 175.8
[M+H-H2O]+ 273.19669 161.8
[M+HCOO]- 335.19763 190.2
[M+CH3COO]- 349.21328 212.3
[M+Na-2H]- 311.17410 173.6
[M]+ 290.19888 175.2
[M]- 290.19998 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.