CID 3547487

477320-15-3

Structural Information

Molecular Formula
C17H18F2N4O
SMILES
C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CC=N3
InChI
InChI=1S/C17H18F2N4O/c18-13-4-5-15(14(19)11-13)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
InChIKey
HXWMJCVKQZTZNF-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

332.14487 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15215 177.8
[M+Na]+ 355.13409 189.1
[M+NH4]+ 350.17869 183.0
[M+K]+ 371.10803 182.2
[M-H]- 331.13759 179.5
[M+Na-2H]- 353.11954 184.8
[M]+ 332.14432 179.5
[M]- 332.14542 179.5
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