CID 11994868

947617-96-1

Structural Information

Molecular Formula
C20H23FN2O
SMILES
C1CNC2=C(C=CC(=C2)F)OC13CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H23FN2O/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
OIMOIMLSQGFHJP-UHFFFAOYSA-N
Compound name
1'-benzyl-7-fluorospiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.17944 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18672 177.5
[M+Na]+ 349.16866 181.8
[M-H]- 325.17216 182.1
[M+NH4]+ 344.21326 188.6
[M+K]+ 365.14260 179.5
[M+H-H2O]+ 309.17670 166.4
[M+HCOO]- 371.17764 187.7
[M+CH3COO]- 385.19329 185.1
[M+Na-2H]- 347.15411 181.5
[M]+ 326.17889 166.9
[M]- 326.17999 166.9
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

patents stripe