CID 40803

Trans-decahydro-8-benzamido-2-methylisoquinoline

Structural Information

Molecular Formula
C17H24N2O
SMILES
CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H24N2O/c1-19-11-10-13-8-5-9-16(15(13)12-19)18-17(20)14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,18,20)/t13-,15-,16?/m1/s1
InChIKey
IJCPGHZBVADIGP-CWSLVUQWSA-N
Compound name
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.7
[M+Na]+ 295.17809 177.9
[M+NH4]+ 290.22269 175.6
[M+K]+ 311.15203 170.1
[M-H]- 271.18159 171.5
[M+Na-2H]- 293.16354 172.4
[M]+ 272.18832 169.4
[M]- 272.18942 169.4
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.