CID 3039905

4-quinolinol, decahydro-1,2-dimethyl-4-phenyl-, propionate, hydrochloride, (z)-

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC[C@]1(C[C@H]([C@@H]2CCCC[C@H]2N1C)C(=O)OC3=CC=CC=C3)C
InChI
InChI=1S/C20H29NO2/c1-4-20(2)14-17(16-12-8-9-13-18(16)21(20)3)19(22)23-15-10-6-5-7-11-15/h5-7,10-11,16-18H,4,8-9,12-14H2,1-3H3/t16-,17+,18+,20-/m0/s1
InChIKey
MLOVDOIAADFLLH-XFKSJGNHSA-N
Compound name
phenyl (2S,4R,4aS,8aR)-2-ethyl-1,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 179.5
[M+Na]+ 338.20904 191.3
[M+NH4]+ 333.25364 189.3
[M+K]+ 354.18298 181.5
[M-H]- 314.21254 183.5
[M+Na-2H]- 336.19449 185.6
[M]+ 315.21927 182.4
[M]- 315.22037 182.4
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.