CID 5272408

2-pyridineacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(4-fluorophenyl)methyl]-

Structural Information

Molecular Formula
C25H22FN5O2S
SMILES
C1=CC=NC(=C1)CC(=O)N(CC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H22FN5O2S/c26-19-8-4-17(5-9-19)14-31(24(33)13-21-3-1-2-12-28-21)15-23(32)29-20-10-6-18(7-11-20)22-16-34-25(27)30-22/h1-12,16H,13-15H2,(H2,27,30)(H,29,32)
InChIKey
JRSPIFSWKXKJFQ-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.14783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.15511 210.2
[M+Na]+ 498.13705 214.7
[M-H]- 474.14055 219.9
[M+NH4]+ 493.18165 216.1
[M+K]+ 514.11099 208.2
[M+H-H2O]+ 458.14509 197.8
[M+HCOO]- 520.14603 227.3
[M+CH3COO]- 534.16168 217.4
[M+Na-2H]- 496.12250 209.0
[M]+ 475.14728 210.7
[M]- 475.14838 210.7
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.