CID 495118

Nsc644292

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)(C)C(COC)N=CN1CCC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C19H30N2O3/c1-19(2,3)18(12-22-4)20-13-21-8-7-14-9-16(23-5)17(24-6)10-15(14)11-21/h9-10,13,18H,7-8,11-12H2,1-6H3
InChIKey
PCRRABGRVUXJCO-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methoxy-3,3-dimethylbutan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 183.7
[M+Na]+ 357.214868 188.7
[M-H]- 333.218374 187.2
[M+NH4]+ 352.259473 198.0
[M+K]+ 373.188808 187.0
[M+H-H2O]+ 317.222910 175.6
[M+HCOO]- 379.223851 201.3
[M+CH3COO]- 393.239501 218.4
[M+Na-2H]- 355.200316 186.5
[M]+ 334.22510142 188.2
[M]- 334.22619858 188.2
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.