CID 132312452

2137835-08-4

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(C)(C)OC(=O)NC1CC2(CCNCC2)OC3=CC=CC=C13
InChI
InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-14-12-18(8-10-19-11-9-18)22-15-7-5-4-6-13(14)15/h4-7,14,19H,8-12H2,1-3H3,(H,20,21)
InChIKey
XAHPMABSQFIUEJ-UHFFFAOYSA-N
Compound name
tert-butyl N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 176.5
[M+Na]+ 341.18356 179.5
[M-H]- 317.18706 179.4
[M+NH4]+ 336.22816 190.2
[M+K]+ 357.15750 177.3
[M+H-H2O]+ 301.19160 168.6
[M+HCOO]- 363.19254 187.5
[M+CH3COO]- 377.20819 204.5
[M+Na-2H]- 339.16901 182.3
[M]+ 318.19379 171.0
[M]- 318.19489 171.0
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

No patent data available for this compound.