CID 3040029

5-thiazolecarboxamide, n,n-dimethyl-4-phenyl-2-(3-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H15N3OS
SMILES
CN(C)C(=O)C1=C(N=C(S1)C2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3OS/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13/h3-11H,1-2H3
InChIKey
KJAHXHRALOUIDJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.0936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 171.2
[M+Na]+ 332.08282 179.7
[M-H]- 308.08632 180.6
[M+NH4]+ 327.12742 185.8
[M+K]+ 348.05676 175.2
[M+H-H2O]+ 292.09086 161.9
[M+HCOO]- 354.09180 190.2
[M+CH3COO]- 368.10745 183.0
[M+Na-2H]- 330.06827 172.0
[M]+ 309.09305 174.4
[M]- 309.09415 174.4
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

patents stripe