CID 49760957

1160247-22-2

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCNCC2)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey
FSVVUJLLKROCMU-UHFFFAOYSA-N
Compound name
tert-butyl 5-chlorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

322.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.152076 178.7
[M+Na]+ 345.134018 185.5
[M-H]- 321.137524 180.5
[M+NH4]+ 340.178623 195.7
[M+K]+ 361.107958 179.9
[M+H-H2O]+ 305.142060 171.8
[M+HCOO]- 367.143001 186.0
[M+CH3COO]- 381.158651 201.1
[M+Na-2H]- 343.119466 180.5
[M]+ 322.14425142 176.5
[M]- 322.14534858 176.5
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

patents stripe