CID 49760201

1'-[(tert-butoxy)carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxylic acid

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C18H24N2O4/c1-17(2,3)24-16(23)20-8-6-18(7-9-20)11-19-14-5-4-12(15(21)22)10-13(14)18/h4-5,10,19H,6-9,11H2,1-3H3,(H,21,22)
InChIKey
GKEIXWRMVGDCSD-UHFFFAOYSA-N
Compound name
1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

332.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.9
[M+Na]+ 355.16282 185.7
[M-H]- 331.16632 181.4
[M+NH4]+ 350.20742 195.6
[M+K]+ 371.13676 182.2
[M+H-H2O]+ 315.17086 174.3
[M+HCOO]- 377.17180 190.5
[M+CH3COO]- 391.18745 202.6
[M+Na-2H]- 353.14827 181.9
[M]+ 332.17305 176.9
[M]- 332.17415 176.9
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