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]+ 307.201616 174.5
[M+Na]+ 329.183558 180.6
[M-H]- 305.187064 178.3
[M+NH4]+ 324.228163 190.0
[M+K]+ 345.157498 178.8
[M+H-H2O]+ 289.191600 166.5
[M+HCOO]- 351.192541 193.7
[M+CH3COO]- 365.208191 212.2
[M+Na-2H]- 327.169006 179.5
[M]+ 306.19379142 179.0
[M]- 306.19488858 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.