CID 5272315

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-pyridine-3-carboxamide

Structural Information

Molecular Formula
C24H21N5O2S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CN=CC=C4
InChI
InChI=1S/C24H21N5O2S/c25-24-28-21(16-32-24)18-8-10-20(11-9-18)27-22(30)15-29(14-17-5-2-1-3-6-17)23(31)19-7-4-12-26-13-19/h1-13,16H,14-15H2,(H2,25,28)(H,27,30)
InChIKey
ATNGTRVDIRFVOR-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14888 202.7
[M+Na]+ 466.13082 206.9
[M-H]- 442.13432 213.7
[M+NH4]+ 461.17542 209.8
[M+K]+ 482.10476 201.0
[M+H-H2O]+ 426.13886 191.4
[M+HCOO]- 488.13980 221.3
[M+CH3COO]- 502.15545 210.7
[M+Na-2H]- 464.11627 203.4
[M]+ 443.14105 203.4
[M]- 443.14215 203.4
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.