CID 16058752

Jnj-37822681

Structural Information

Molecular Formula
C17H17F5N4
SMILES
C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
InChIKey
UVUYWJWYRLJHEN-UHFFFAOYSA-N
Compound name
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

26
Patents

372.13733 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14461 182.2
[M+Na]+ 395.12655 189.4
[M+NH4]+ 390.17115 184.7
[M+K]+ 411.10049 184.0
[M-H]- 371.13005 179.4
[M+Na-2H]- 393.11200 186.0
[M]+ 372.13678 182.0
[M]- 372.13788 182.0
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