CID 53302221

Tert-butyl 4-amino-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C3=CC=CC=C3O2)N
InChI
InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-10-8-18(9-11-20)12-14(19)13-6-4-5-7-15(13)22-18/h4-7,14H,8-12,19H2,1-3H3
InChIKey
RHRIIQVZXVYVIE-UHFFFAOYSA-N
Compound name
tert-butyl 4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.201616 177.3
[M+Na]+ 341.183558 181.7
[M-H]- 317.187064 181.5
[M+NH4]+ 336.228163 191.8
[M+K]+ 357.157498 180.0
[M+H-H2O]+ 301.191600 169.4
[M+HCOO]- 363.192541 189.2
[M+CH3COO]- 377.208191 207.6
[M+Na-2H]- 339.169006 181.8
[M]+ 318.19379142 173.0
[M]- 318.19488858 173.0
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.