CID 10341154

Vx-702

Structural Information

Molecular Formula
C19H12F4N4O2
SMILES
C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F
InChI
InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
InChIKey
FYSRKRZDBHOFAY-UHFFFAOYSA-N
Compound name
6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

32
References

577
Patents

404.08963 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.09691 192.7
[M+Na]+ 427.07885 201.5
[M-H]- 403.08235 197.5
[M+NH4]+ 422.12345 201.2
[M+K]+ 443.05279 195.9
[M+H-H2O]+ 387.08689 178.7
[M+HCOO]- 449.08783 211.9
[M+CH3COO]- 463.10348 234.8
[M+Na-2H]- 425.06430 190.1
[M]+ 404.08908 187.0
[M]- 404.09018 187.0
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