CID 14476557

Methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C19H21NO2
SMILES
COC(=O)C1(CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-22-18(21)19(17-10-6-3-7-11-17)12-13-20(15-19)14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKey
WKQDMNDNLBVMJY-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 171.4
[M+Na]+ 318.14645 176.9
[M-H]- 294.14995 179.3
[M+NH4]+ 313.19105 188.3
[M+K]+ 334.12039 172.8
[M+H-H2O]+ 278.15449 162.3
[M+HCOO]- 340.15543 191.8
[M+CH3COO]- 354.17108 200.1
[M+Na-2H]- 316.13190 173.5
[M]+ 295.15668 170.1
[M]- 295.15778 170.1
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

patents stripe