CID 3059829

Brn 4210083

Structural Information

Molecular Formula
C23H26FN3O
SMILES
C1CN2CC3=C(CC2CN1CCCOC4=CC=C(C=C4)F)C5=CC=CC=C5N3
InChI
InChI=1S/C23H26FN3O/c24-17-6-8-19(9-7-17)28-13-3-10-26-11-12-27-16-23-21(14-18(27)15-26)20-4-1-2-5-22(20)25-23/h1-2,4-9,18,25H,3,10-16H2
InChIKey
RWIQGAMYHVJZCB-UHFFFAOYSA-N
Compound name
6-[3-(4-fluorophenoxy)propyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.206 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21328 194.8
[M+Na]+ 402.19522 208.5
[M+NH4]+ 397.23982 202.9
[M+K]+ 418.16916 200.5
[M-H]- 378.19872 197.7
[M+Na-2H]- 400.18067 199.0
[M]+ 379.20545 197.5
[M]- 379.20655 197.5
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.