CID 10914256

Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CN(CCC12CNC3=CC=CC=C23)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2
InChIKey
XJUPGFXGJQIYQG-UHFFFAOYSA-N
Compound name
benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

322.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.9
[M+Na]+ 345.15734 183.5
[M-H]- 321.16084 183.3
[M+NH4]+ 340.20194 193.8
[M+K]+ 361.13128 177.6
[M+H-H2O]+ 305.16538 168.6
[M+HCOO]- 367.16632 192.7
[M+CH3COO]- 381.18197 187.4
[M+Na-2H]- 343.14279 181.2
[M]+ 322.16757 173.0
[M]- 322.16867 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe