CID 29676

19590-85-3

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CN1CC[C@@H]2[C@H](C1)CCCC2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H30N2O4/c1-22-9-8-15-13(12-22)6-5-7-16(15)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,21,23)/t13-,15+,16?/m0/s1
InChIKey
QZGOPRYNEGQTLA-GVJPCGBOSA-N
Compound name
N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 188.0
[M+Na]+ 385.20977 198.1
[M+NH4]+ 380.25437 194.6
[M+K]+ 401.18371 192.0
[M-H]- 361.21327 191.4
[M+Na-2H]- 383.19522 191.0
[M]+ 362.22000 190.1
[M]- 362.22110 190.1
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.