CID 42354

57464-32-1

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CN1CC[C@H]2CC(CC[C@H]2C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H30N2O4/c1-22-8-7-13-9-16(6-5-14(13)12-22)21-20(23)15-10-17(24-2)19(26-4)18(11-15)25-3/h10-11,13-14,16H,5-9,12H2,1-4H3,(H,21,23)/t13-,14-,16?/m0/s1
InChIKey
USMZVKWEMSJKCG-ADTLFGHVSA-N
Compound name
N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-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]+ 363.227826 187.9
[M+Na]+ 385.209768 191.3
[M-H]- 361.213274 192.6
[M+NH4]+ 380.254373 199.7
[M+K]+ 401.183708 188.8
[M+H-H2O]+ 345.217810 178.4
[M+HCOO]- 407.218751 202.2
[M+CH3COO]- 421.234401 221.0
[M+Na-2H]- 383.195216 187.0
[M]+ 362.22000142 186.7
[M]- 362.22109858 186.7
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.