CID 40801

53525-86-3

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H28N2O3/c1-21-10-9-13-5-4-6-16(15(13)12-21)20-19(22)14-7-8-17(23-2)18(11-14)24-3/h7-8,11,13,15-16H,4-6,9-10,12H2,1-3H3,(H,20,22)/t13-,15-,16?/m1/s1
InChIKey
BXGJICGWWAZXKR-CWSLVUQWSA-N
Compound name
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 180.9
[M+Na]+ 355.19922 191.4
[M+NH4]+ 350.24382 188.3
[M+K]+ 371.17316 184.7
[M-H]- 331.20272 184.8
[M+Na-2H]- 353.18467 184.9
[M]+ 332.20945 183.2
[M]- 332.21055 183.2
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.