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]+ 382.192516 190.8
[M+Na]+ 404.174458 195.9
[M-H]- 380.177964 196.2
[M+NH4]+ 399.219063 199.6
[M+K]+ 420.148398 195.3
[M+H-H2O]+ 364.182500 180.0
[M+HCOO]- 426.183441 203.4
[M+CH3COO]- 440.199091 198.4
[M+Na-2H]- 402.159906 193.8
[M]+ 381.18469142 185.9
[M]- 381.18578858 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.