CID 16119082

Pf-03654764

Structural Information

Molecular Formula
C20H28F2N2O
SMILES
CC(C)CNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F
InChI
InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)
InChIKey
DJRDLCHHQYHQQK-UHFFFAOYSA-N
Compound name
3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

350.21698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22426 193.8
[M+Na]+ 373.20620 196.8
[M+NH4]+ 368.25080 196.6
[M+K]+ 389.18014 191.9
[M-H]- 349.20970 192.0
[M+Na-2H]- 371.19165 195.1
[M]+ 350.21643 192.3
[M]- 350.21753 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe