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 179.1
[M+Na]+ 337.22502 181.1
[M-H]- 313.22852 183.1
[M+NH4]+ 332.26962 192.5
[M+K]+ 353.19896 176.4
[M+H-H2O]+ 297.23306 169.6
[M+HCOO]- 359.23400 192.9
[M+CH3COO]- 373.24965 211.9
[M+Na-2H]- 335.21047 179.1
[M]+ 314.23525 172.6
[M]- 314.23635 172.6
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.