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]+ 333.180876 180.9
[M+Na]+ 355.162818 185.7
[M-H]- 331.166324 181.4
[M+NH4]+ 350.207423 195.6
[M+K]+ 371.136758 182.2
[M+H-H2O]+ 315.170860 174.3
[M+HCOO]- 377.171801 190.5
[M+CH3COO]- 391.187451 202.6
[M+Na-2H]- 353.148266 181.9
[M]+ 332.17305142 176.9
[M]- 332.17414858 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