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 190.8
[M+Na]+ 404.17446 195.9
[M-H]- 380.17796 196.2
[M+NH4]+ 399.21906 199.6
[M+K]+ 420.14840 195.3
[M+H-H2O]+ 364.18250 180.0
[M+HCOO]- 426.18344 203.4
[M+CH3COO]- 440.19909 198.4
[M+Na-2H]- 402.15991 193.8
[M]+ 381.18469 185.9
[M]- 381.18579 185.9
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.