CID 3044535

Veratrimidic acid, n-(decahydro-2-methylisoquinolin-6-yl)-, (z)-

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CN1CC[C@H]2C[C@H](CC[C@H]2C1)NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H28N2O3/c1-21-9-8-13-10-16(6-4-15(13)12-21)20-19(22)14-5-7-17(23-2)18(11-14)24-3/h5,7,11,13,15-16H,4,6,8-10,12H2,1-3H3,(H,20,22)/t13-,15-,16-/m0/s1
InChIKey
LHTCJVXGLPKNGY-BPUTZDHNSA-N
Compound name
N-[(4aS,6S,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 180.6
[M+Na]+ 355.199218 183.7
[M-H]- 331.202724 185.1
[M+NH4]+ 350.243823 193.5
[M+K]+ 371.173158 180.6
[M+H-H2O]+ 315.207260 171.3
[M+HCOO]- 377.208201 195.1
[M+CH3COO]- 391.223851 214.5
[M+Na-2H]- 353.184666 180.7
[M]+ 332.20945142 177.1
[M]- 332.21054858 177.1
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.