CID 445276

1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C4H4N2OS
SMILES
C1=C(N=CS1)C(=O)N
InChI
InChI=1S/C4H4N2OS/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
InChIKey
PQQRHWFRZHFGFM-UHFFFAOYSA-N
Compound name
1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2467
Patents

128.00444 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.011716 121.9
[M+Na]+ 150.993658 131.0
[M-H]- 126.997164 124.5
[M+NH4]+ 146.038263 144.4
[M+K]+ 166.967598 129.5
[M+H-H2O]+ 111.001700 116.1
[M+HCOO]- 173.002641 142.0
[M+CH3COO]- 187.018291 168.9
[M+Na-2H]- 148.979106 125.0
[M]+ 128.00389142 121.9
[M]- 128.00498858 121.9
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