CID 3079226

Benzeneacetic acid, alpha-phenyl-, (hexahydro-1h-pyrrolizin-3-yl)methyl ester, hydrochloride,cis-

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1C[C@H]2CC[C@@H](N2C1)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO2/c24-22(25-16-20-14-13-19-12-7-15-23(19)20)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/t19-,20+/m0/s1
InChIKey
HLXXRFGJYCVISC-VQTJNVASSA-N
Compound name
[(3R,8S)-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

335.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 183.0
[M+Na]+ 358.17776 193.9
[M+NH4]+ 353.22236 191.6
[M+K]+ 374.15170 189.8
[M-H]- 334.18126 188.0
[M+Na-2H]- 356.16321 189.3
[M]+ 335.18799 185.8
[M]- 335.18909 185.8
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.