CID 495132

Nsc644319

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)C(COC)N=CN1CCC2=C(C1)C=CC(=C2)OC
InChI
InChI=1S/C17H26N2O2/c1-13(2)17(11-20-3)18-12-19-8-7-14-9-16(21-4)6-5-15(14)10-19/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3
InChIKey
XYHXGKICOMMJBW-UHFFFAOYSA-N
Compound name
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methoxy-3-methylbutan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.4
[M+Na]+ 313.18865 175.7
[M-H]- 289.19215 174.6
[M+NH4]+ 308.23325 187.0
[M+K]+ 329.16259 173.7
[M+H-H2O]+ 273.19669 162.9
[M+HCOO]- 335.19763 190.0
[M+CH3COO]- 349.21328 210.2
[M+Na-2H]- 311.17410 173.6
[M]+ 290.19888 173.2
[M]- 290.19998 173.2
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.