CID 3046644

62469-48-1

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CN(C)CC(CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-25(2)18-22(19-26-16-10-5-11-17-26)28-24(27)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,22-23H,5,10-11,16-19H2,1-2H3
InChIKey
HENKCQWWGKOAMV-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-3-piperidin-1-ylpropan-2-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 195.5
[M+Na]+ 403.23559 194.2
[M-H]- 379.23909 202.3
[M+NH4]+ 398.28019 204.3
[M+K]+ 419.20953 191.3
[M+H-H2O]+ 363.24363 183.9
[M+HCOO]- 425.24457 211.1
[M+CH3COO]- 439.26022 224.7
[M+Na-2H]- 401.22104 194.0
[M]+ 380.24582 192.1
[M]- 380.24692 192.1
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.