CID 5272368

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

Structural Information

Molecular Formula
C24H20FN5O2S
SMILES
C1=CC(=CC=C1CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4)F
InChI
InChI=1S/C24H20FN5O2S/c25-19-5-1-16(2-6-19)13-30(23(32)18-9-11-27-12-10-18)14-22(31)28-20-7-3-17(4-8-20)21-15-33-24(26)29-21/h1-12,15H,13-14H2,(H2,26,29)(H,28,31)
InChIKey
XLVLKZWYUJQLNI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.13217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.13945 206.2
[M+Na]+ 484.12139 211.2
[M-H]- 460.12489 216.1
[M+NH4]+ 479.16599 212.7
[M+K]+ 500.09533 204.8
[M+H-H2O]+ 444.12943 194.0
[M+HCOO]- 506.13037 223.6
[M+CH3COO]- 520.14602 213.8
[M+Na-2H]- 482.10684 205.5
[M]+ 461.13162 206.3
[M]- 461.13272 206.3
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.