CID 495120

Nsc644294

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CC1C2=CC(=C(C=C2CCN1C=NC(COC)C(C)(C)C)OC)OC
InChI
InChI=1S/C20H32N2O3/c1-14-16-11-18(25-7)17(24-6)10-15(16)8-9-22(14)13-21-19(12-23-5)20(2,3)4/h10-11,13-14,19H,8-9,12H2,1-7H3
InChIKey
CUMIWCFBUYWGMR-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-1-methyl-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

348.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 188.1
[M+Na]+ 371.23052 193.6
[M-H]- 347.23402 191.8
[M+NH4]+ 366.27512 202.1
[M+K]+ 387.20446 191.7
[M+H-H2O]+ 331.23856 180.0
[M+HCOO]- 393.23950 205.2
[M+CH3COO]- 407.25515 222.6
[M+Na-2H]- 369.21597 189.6
[M]+ 348.24075 193.4
[M]- 348.24185 193.4
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.