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]+ 319.201616 176.5
[M+Na]+ 341.183558 179.5
[M-H]- 317.187064 179.4
[M+NH4]+ 336.228163 190.2
[M+K]+ 357.157498 177.3
[M+H-H2O]+ 301.191600 168.6
[M+HCOO]- 363.192541 187.5
[M+CH3COO]- 377.208191 204.5
[M+Na-2H]- 339.169006 182.3
[M]+ 318.19379142 171.0
[M]- 318.19488858 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.