CID 40800

Isoquinoline, decahydro-8-(4-methoxybenzamido)-2-methyl-, (e)-

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H26N2O2/c1-20-11-10-13-4-3-5-17(16(13)12-20)19-18(21)14-6-8-15(22-2)9-7-14/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,19,21)/t13-,16-,17?/m1/s1
InChIKey
PHGNGSLOYSIEER-ZIAVVELASA-N
Compound name
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 173.8
[M+Na]+ 325.18865 184.7
[M+NH4]+ 320.23325 182.0
[M+K]+ 341.16259 177.4
[M-H]- 301.19215 178.1
[M+Na-2H]- 323.17410 178.7
[M]+ 302.19888 176.4
[M]- 302.19998 176.4
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.