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]+ 335.23293 183.7
[M+Na]+ 357.21487 188.7
[M-H]- 333.21837 187.2
[M+NH4]+ 352.25947 198.0
[M+K]+ 373.18881 187.0
[M+H-H2O]+ 317.22291 175.6
[M+HCOO]- 379.22385 201.3
[M+CH3COO]- 393.23950 218.4
[M+Na-2H]- 355.20032 186.5
[M]+ 334.22510 188.2
[M]- 334.22620 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.