CID 110695970

N,n-diethyl-2-thiazolecarboxamide

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CCN(CC)C(=O)C1=NC=CS1
InChI
InChI=1S/C8H12N2OS/c1-3-10(4-2)8(11)7-9-5-6-12-7/h5-6H,3-4H2,1-2H3
InChIKey
BFBCPTUKJYJQKJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 140.2
[M+Na]+ 207.056248 147.7
[M-H]- 183.059754 144.2
[M+NH4]+ 202.100853 161.5
[M+K]+ 223.030188 147.0
[M+H-H2O]+ 167.064290 133.4
[M+HCOO]- 229.065231 160.1
[M+CH3COO]- 243.080881 184.5
[M+Na-2H]- 205.041696 141.6
[M]+ 184.06648142 143.8
[M]- 184.06757858 143.8
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.