CID 5272308

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

Structural Information

Molecular Formula
C17H15N5O2S
SMILES
C1=CC(=CN=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C17H15N5O2S/c18-17-22-14(10-25-17)11-3-5-13(6-4-11)21-15(23)9-20-16(24)12-2-1-7-19-8-12/h1-8,10H,9H2,(H2,18,22)(H,20,24)(H,21,23)
InChIKey
OKWDHMVCTMZWMU-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10192 178.7
[M+Na]+ 376.08386 184.7
[M-H]- 352.08736 186.0
[M+NH4]+ 371.12846 189.6
[M+K]+ 392.05780 179.1
[M+H-H2O]+ 336.09190 169.0
[M+HCOO]- 398.09284 197.9
[M+CH3COO]- 412.10849 188.3
[M+Na-2H]- 374.06931 180.5
[M]+ 353.09409 178.3
[M]- 353.09519 178.3
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.