CID 3044254

Rmi 61373

Structural Information

Molecular Formula
C24H21FN2O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC5=CC=CC=C53)F
InChI
InChI=1S/C24H21FN2O/c25-23-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)24(23)27-16-14-26(15-17-27)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKey
GWOHBHDUKIYLBT-UHFFFAOYSA-N
Compound name
1-(5-fluorobenzo[b][1]benzoxepin-6-yl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1638 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17108 191.0
[M+Na]+ 395.15302 197.6
[M-H]- 371.15652 199.1
[M+NH4]+ 390.19762 199.8
[M+K]+ 411.12696 194.8
[M+H-H2O]+ 355.16106 179.6
[M+HCOO]- 417.16200 203.5
[M+CH3COO]- 431.17765 199.1
[M+Na-2H]- 393.13847 194.9
[M]+ 372.16325 184.5
[M]- 372.16435 184.5
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.