CID 17748441

N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C20H16F2N4O3
SMILES
C1=CC(=CC=C1CC(=O)NC(=O)NC2=CC(=C(C=C2)OC3=CC(=NC=C3)N)F)F
InChI
InChI=1S/C20H16F2N4O3/c21-13-3-1-12(2-4-13)9-19(27)26-20(28)25-14-5-6-17(16(22)10-14)29-15-7-8-24-18(23)11-15/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)
InChIKey
USBSTVPJNQLYEM-UHFFFAOYSA-N
Compound name
N-[[4-(2-aminopyridin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

398.11905 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12633 191.7
[M+Na]+ 421.10827 197.8
[M-H]- 397.11177 197.3
[M+NH4]+ 416.15287 199.6
[M+K]+ 437.08221 192.5
[M+H-H2O]+ 381.11631 178.9
[M+HCOO]- 443.11725 213.1
[M+CH3COO]- 457.13290 228.1
[M+Na-2H]- 419.09372 193.3
[M]+ 398.11850 188.5
[M]- 398.11960 188.5
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