CID 40802

Isoquinoline, decahydro-2-methyl-8-(3,4,5-trimethoxybenzamido)-, (e)-

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H30N2O4/c1-22-9-8-13-6-5-7-16(15(13)12-22)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?/m1/s1
InChIKey
UYANHVOBUOWDLZ-CWSLVUQWSA-N
Compound name
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 187.9
[M+Na]+ 385.20977 191.3
[M-H]- 361.21327 192.6
[M+NH4]+ 380.25437 199.7
[M+K]+ 401.18371 188.8
[M+H-H2O]+ 345.21781 178.4
[M+HCOO]- 407.21875 202.2
[M+CH3COO]- 421.23440 221.0
[M+Na-2H]- 383.19522 187.0
[M]+ 362.22000 186.7
[M]- 362.22110 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.