CID 11994864

947617-95-0

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
C1CNC2=C(C=CC(=C2)Cl)OC13CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H23ClN2O/c21-17-6-7-19-18(14-17)22-11-8-20(24-19)9-12-23(13-10-20)15-16-4-2-1-3-5-16/h1-7,14,22H,8-13,15H2
InChIKey
LKUWNFGPWXWKFJ-UHFFFAOYSA-N
Compound name
1'-benzyl-7-chlorospiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1499 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15718 181.6
[M+Na]+ 365.13912 187.2
[M-H]- 341.14262 186.9
[M+NH4]+ 360.18372 193.1
[M+K]+ 381.11306 184.0
[M+H-H2O]+ 325.14716 170.9
[M+HCOO]- 387.14810 188.5
[M+CH3COO]- 401.16375 189.3
[M+Na-2H]- 363.12457 185.6
[M]+ 342.14935 173.9
[M]- 342.15045 173.9
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.