CID 217715

39494-11-6

Structural Information

Molecular Formula
C20H30N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCN2CCC[C@@H]3[C@H]2CCCC3
InChI
InChI=1S/C20H30N2O/c1-15-7-5-8-16(2)20(15)21-19(23)12-14-22-13-6-10-17-9-3-4-11-18(17)22/h5,7-8,17-18H,3-4,6,9-14H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKey
ZBGIIGAOCSRIRK-QZTJIDSGSA-N
Compound name
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 179.9
[M+Na]+ 337.22502 190.8
[M+NH4]+ 332.26962 188.2
[M+K]+ 353.19896 182.5
[M-H]- 313.22852 184.6
[M+Na-2H]- 335.21047 184.6
[M]+ 314.23525 182.6
[M]- 314.23635 182.6
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.