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

6
Patents

308.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.4
[M+Na]+ 331.17809 178.7
[M-H]- 307.18159 180.8
[M+NH4]+ 326.22269 186.9
[M+K]+ 347.15203 176.7
[M+H-H2O]+ 291.18613 165.0
[M+HCOO]- 353.18707 186.5
[M+CH3COO]- 367.20272 183.1
[M+Na-2H]- 329.16354 180.5
[M]+ 308.18832 165.3
[M]- 308.18942 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