CID 132343974

2138428-38-1

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC3=CC=CC=C3O2
InChI
InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-10-8-18(9-11-20)13-19-12-14-6-4-5-7-15(14)22-18/h4-7,19H,8-13H2,1-3H3
InChIKey
WAZUIOYARMXCEQ-UHFFFAOYSA-N
Compound name
tert-butyl spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.201616 174.3
[M+Na]+ 341.183558 177.3
[M-H]- 317.187064 177.3
[M+NH4]+ 336.228163 186.2
[M+K]+ 357.157498 178.5
[M+H-H2O]+ 301.191600 166.0
[M+HCOO]- 363.192541 183.1
[M+CH3COO]- 377.208191 202.6
[M+Na-2H]- 339.169006 179.0
[M]+ 318.19379142 167.1
[M]- 318.19488858 167.1
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.