CID 3044253

Rmi 61374

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CN(C)C(=O)CN1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F
InChI
InChI=1S/C22H24FN3O2/c1-24(2)20(27)15-25-11-13-26(14-12-25)22-17-8-4-6-10-19(17)28-18-9-5-3-7-16(18)21(22)23/h3-10H,11-15H2,1-2H3
InChIKey
JCYCLMDFTIOCTE-UHFFFAOYSA-N
Compound name
2-[4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18524 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 192.6
[M+Na]+ 404.17446 203.6
[M+NH4]+ 399.21906 198.8
[M+K]+ 420.14840 197.6
[M-H]- 380.17796 196.8
[M+Na-2H]- 402.15991 197.0
[M]+ 381.18469 195.3
[M]- 381.18579 195.3
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.