CID 3079230

Cis-3,8h-3-methylpyrrolizidinyl-cis-5,8h-5-methyldiphenylacetate hydrochloride

Structural Information

Molecular Formula
C23H27NO2
SMILES
CC1CCC2N1C(CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-17-12-13-20-14-15-21(24(17)20)16-26-23(25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-22H,12-16H2,1H3
InChIKey
LVKQJFNPPSQLKL-UHFFFAOYSA-N
Compound name
(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 187.9
[M+Na]+ 372.19342 191.1
[M-H]- 348.19692 196.2
[M+NH4]+ 367.23802 203.2
[M+K]+ 388.16736 186.4
[M+H-H2O]+ 332.20146 179.0
[M+HCOO]- 394.20240 204.8
[M+CH3COO]- 408.21805 197.0
[M+Na-2H]- 370.17887 183.9
[M]+ 349.20365 185.5
[M]- 349.20475 185.5
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.