CID 132313473

2126177-04-4

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2OC3(C1)CCNCC3

InChI

InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-12-14-6-4-5-7-15(14)22-18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3

InChIKey

OQGDMOZDAOFOTF-UHFFFAOYSA-N

Compound name

tert-butyl spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.