CID 82545861

2-amino-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C14H11N5OS
SMILES
C1=CC(=C(N=C1)N)C(=O)NC2=NC(=CS2)C3=CC=NC=C3
InChI
InChI=1S/C14H11N5OS/c15-12-10(2-1-5-17-12)13(20)19-14-18-11(8-21-14)9-3-6-16-7-4-9/h1-8H,(H2,15,17)(H,18,19,20)
InChIKey
QVZPIEJDWFNWPE-UHFFFAOYSA-N
Compound name
2-amino-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07570 164.1
[M+Na]+ 320.05764 172.9
[M-H]- 296.06114 170.6
[M+NH4]+ 315.10224 176.6
[M+K]+ 336.03158 166.9
[M+H-H2O]+ 280.06568 154.6
[M+HCOO]- 342.06662 182.8
[M+CH3COO]- 356.08227 175.2
[M+Na-2H]- 318.04309 167.2
[M]+ 297.06787 163.9
[M]- 297.06897 163.9
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.