CID 3049987

N,n-dimethyl-2-aminomethyl-4,4-diphenylcyclohexylacetate hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
CC(=O)OC1CCC(CC1CN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-18(25)26-22-14-15-23(16-19(22)17-24(2)3,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22H,14-17H2,1-3H3
InChIKey
FQILCSMUZCOZHX-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-4,4-diphenylcyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 187.9
[M+Na]+ 374.20904 190.8
[M-H]- 350.21254 197.5
[M+NH4]+ 369.25364 202.3
[M+K]+ 390.18298 187.7
[M+H-H2O]+ 334.21708 178.1
[M+HCOO]- 396.21802 207.3
[M+CH3COO]- 410.23367 219.3
[M+Na-2H]- 372.19449 188.6
[M]+ 351.21927 186.1
[M]- 351.22037 186.1
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.