CID 49768202

693789-32-1

Structural Information

Molecular Formula
C20H24N2O
SMILES
C1CNC2=CC=CC=C2OC13CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H24N2O/c1-2-6-17(7-3-1)16-22-14-11-20(12-15-22)10-13-21-18-8-4-5-9-19(18)23-20/h1-9,21H,10-16H2
InChIKey
WDGNVURNCQTMIN-UHFFFAOYSA-N
Compound name
1'-benzylspiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 175.4
[M+Na]+ 331.178088 178.7
[M-H]- 307.181594 180.8
[M+NH4]+ 326.222693 186.9
[M+K]+ 347.152028 176.7
[M+H-H2O]+ 291.186130 165.0
[M+HCOO]- 353.187071 186.5
[M+CH3COO]- 367.202721 183.1
[M+Na-2H]- 329.163536 180.5
[M]+ 308.18832142 165.3
[M]- 308.18941858 165.3
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

patents stripe