CID 3044249

Rmi 61683

Structural Information

Molecular Formula
C25H30FN3O2
SMILES
CCN(CC)C(=O)C(C)N1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F
InChI
InChI=1S/C25H30FN3O2/c1-4-27(5-2)25(30)18(3)28-14-16-29(17-15-28)24-20-11-7-9-13-22(20)31-21-12-8-6-10-19(21)23(24)26/h6-13,18H,4-5,14-17H2,1-3H3
InChIKey
LFNZJEJFFSSIPE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2322 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23948 204.5
[M+Na]+ 446.22142 214.5
[M+NH4]+ 441.26602 210.1
[M+K]+ 462.19536 208.7
[M-H]- 422.22492 208.4
[M+Na-2H]- 444.20687 207.8
[M]+ 423.23165 206.9
[M]- 423.23275 206.9
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.