CID 9801235

Ave5638

Structural Information

Molecular Formula
C25H23FN2O2
SMILES
C1CN(CCC1C2=CC=CC(=C2)CN)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4F
InChI
InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
InChIKey
FTLQSQQQFMZPKO-UHFFFAOYSA-N
Compound name
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]furan-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

402.17435 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18163 201.2
[M+Na]+ 425.16357 209.0
[M-H]- 401.16707 206.5
[M+NH4]+ 420.20817 208.2
[M+K]+ 441.13751 199.2
[M+H-H2O]+ 385.17161 183.7
[M+HCOO]- 447.17255 211.9
[M+CH3COO]- 461.18820 207.2
[M+Na-2H]- 423.14902 196.5
[M]+ 402.17380 190.4
[M]- 402.17490 190.4
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.