CID 370768

Nsc644291

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(COC)N=CN1CCC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C17H26N2O3/c1-17(2,11-20-3)18-12-19-7-6-13-8-15(21-4)16(22-5)9-14(13)10-19/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
DCZBHQQPABQCRB-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methoxy-2-methylpropan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 174.5
[M+Na]+ 329.18356 180.6
[M-H]- 305.18706 178.3
[M+NH4]+ 324.22816 190.0
[M+K]+ 345.15750 178.8
[M+H-H2O]+ 289.19160 166.5
[M+HCOO]- 351.19254 193.7
[M+CH3COO]- 365.20819 212.2
[M+Na-2H]- 327.16901 179.5
[M]+ 306.19379 179.0
[M]- 306.19489 179.0
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.