CID 10447719

Nexeridine

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(CN(C)C)C1(CCCCC1C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C19H29NO2/c1-15(14-20(3)4)19(22-16(2)21)13-9-8-12-18(19)17-10-6-5-7-11-17/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3
InChIKey
TVQPXLMQOZWEBA-UHFFFAOYSA-N
Compound name
[1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

778
Patents

303.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.0
[M+Na]+ 326.20904 178.2
[M-H]- 302.21254 182.5
[M+NH4]+ 321.25364 192.7
[M+K]+ 342.18298 177.0
[M+H-H2O]+ 286.21708 168.2
[M+HCOO]- 348.21802 194.5
[M+CH3COO]- 362.23367 211.3
[M+Na-2H]- 324.19449 176.0
[M]+ 303.21927 174.6
[M]- 303.22037 174.6
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

patents stripe