CID 5272436

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(2,6-difluorophenyl)methyl]-

Structural Information

Molecular Formula
C24H19F2N5O2S
SMILES
C1=CC(=C(C(=C1)F)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4)F
InChI
InChI=1S/C24H19F2N5O2S/c25-19-2-1-3-20(26)18(19)12-31(23(33)16-8-10-28-11-9-16)13-22(32)29-17-6-4-15(5-7-17)21-14-34-24(27)30-21/h1-11,14H,12-13H2,(H2,27,30)(H,29,32)
InChIKey
BVMGSWDYAXDNRY-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2,6-difluorophenyl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.12274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.13002 209.6
[M+Na]+ 502.11196 215.5
[M-H]- 478.11546 218.4
[M+NH4]+ 497.15656 215.6
[M+K]+ 518.08590 208.6
[M+H-H2O]+ 462.12000 196.6
[M+HCOO]- 524.12094 225.9
[M+CH3COO]- 538.13659 216.9
[M+Na-2H]- 500.09741 207.6
[M]+ 479.12219 209.3
[M]- 479.12329 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.