CID 203433

3-pyridinecarboxamide, n-(4-phenyl-2-thiazolyl)-

Structural Information

Molecular Formula
C15H11N3OS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H11N3OS/c19-14(12-7-4-8-16-9-12)18-15-17-13(10-20-15)11-5-2-1-3-6-11/h1-10H,(H,17,18,19)
InChIKey
ZSZBVMKJFQWIFV-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

281.0623 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06958 161.6
[M+Na]+ 304.05152 170.0
[M-H]- 280.05502 169.4
[M+NH4]+ 299.09612 176.4
[M+K]+ 320.02546 164.5
[M+H-H2O]+ 264.05956 152.6
[M+HCOO]- 326.06050 180.8
[M+CH3COO]- 340.07615 173.4
[M+Na-2H]- 302.03697 164.8
[M]+ 281.06175 162.4
[M]- 281.06285 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe