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

8
Patents

322.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 178.7
[M+Na]+ 345.13402 185.5
[M-H]- 321.13752 180.5
[M+NH4]+ 340.17862 195.7
[M+K]+ 361.10796 179.9
[M+H-H2O]+ 305.14206 171.8
[M+HCOO]- 367.14300 186.0
[M+CH3COO]- 381.15865 201.1
[M+Na-2H]- 343.11947 180.5
[M]+ 322.14425 176.5
[M]- 322.14535 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