CID 49768203

1'-benzyl-7-nitro-spiro[4,5-dihydro-3h-1,5-benzoxazepine-2,4'-piperidine]

Structural Information

Molecular Formula
C20H23N3O3
SMILES
C1CNC2=C(C=CC(=C2)[N+](=O)[O-])OC13CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H23N3O3/c24-23(25)17-6-7-19-18(14-17)21-11-8-20(26-19)9-12-22(13-10-20)15-16-4-2-1-3-5-16/h1-7,14,21H,8-13,15H2
InChIKey
WPYDKLWBAHCAIK-UHFFFAOYSA-N
Compound name
1'-benzyl-7-nitrospiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 185.5
[M+Na]+ 376.16317 187.4
[M-H]- 352.16667 191.3
[M+NH4]+ 371.20777 194.4
[M+K]+ 392.13711 183.0
[M+H-H2O]+ 336.17121 178.8
[M+HCOO]- 398.17215 197.4
[M+CH3COO]- 412.18780 204.8
[M+Na-2H]- 374.14862 191.7
[M]+ 353.17340 174.7
[M]- 353.17450 174.7
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.