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]+ 291.206706 171.4
[M+Na]+ 313.188648 175.7
[M-H]- 289.192154 174.6
[M+NH4]+ 308.233253 187.0
[M+K]+ 329.162588 173.7
[M+H-H2O]+ 273.196690 162.9
[M+HCOO]- 335.197631 190.0
[M+CH3COO]- 349.213281 210.2
[M+Na-2H]- 311.174096 173.6
[M]+ 290.19888142 173.2
[M]- 290.19997858 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.