CID 11994865

1'-benzyl-8-methoxy-spiro[4,5-dihydro-3h-1,5-benzoxazepine-2,4'-piperidine]

Structural Information

Molecular Formula
C21H26N2O2
SMILES
COC1=CC2=C(C=C1)NCCC3(O2)CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C21H26N2O2/c1-24-18-7-8-19-20(15-18)25-21(9-12-22-19)10-13-23(14-11-21)16-17-5-3-2-4-6-17/h2-8,15,22H,9-14,16H2,1H3
InChIKey
QMZVWMGCGLBVCD-UHFFFAOYSA-N
Compound name
1'-benzyl-8-methoxyspiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.0
[M+Na]+ 361.18865 186.6
[M-H]- 337.19215 188.6
[M+NH4]+ 356.23325 193.6
[M+K]+ 377.16259 185.2
[M+H-H2O]+ 321.19669 172.4
[M+HCOO]- 383.19763 193.9
[M+CH3COO]- 397.21328 190.5
[M+Na-2H]- 359.17410 187.0
[M]+ 338.19888 174.9
[M]- 338.19998 174.9
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.