CID 49760201

888222-12-6

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 178.3
[M+Na]+ 355.16282 186.0
[M+NH4]+ 350.20742 184.8
[M+K]+ 371.13676 182.7
[M-H]- 331.16632 176.9
[M+Na-2H]- 353.14827 180.6
[M]+ 332.17305 178.7
[M]- 332.17415 178.7
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