CID 3044251

Rmi 61684

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CCNC(=O)CN1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F
InChI
InChI=1S/C22H24FN3O2/c1-2-24-20(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,2,11-15H2,1H3,(H,24,27)
InChIKey
MUFXZHFBFLKWLL-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18524 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 193.5
[M+Na]+ 404.17446 204.3
[M+NH4]+ 399.21906 199.5
[M+K]+ 420.14840 197.9
[M-H]- 380.17796 197.4
[M+Na-2H]- 402.15991 197.5
[M]+ 381.18469 196.1
[M]- 381.18579 196.1
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.