CID 8798

Nithiamide

Structural Information

Molecular Formula
C5H5N3O3S
SMILES
CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
InChIKey
UJRRDDHEMZLWFI-UHFFFAOYSA-N
Compound name
N-(5-nitro-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

1409
Patents

187.00516 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01244 134.0
[M+Na]+ 209.99438 141.6
[M-H]- 185.99788 137.2
[M+NH4]+ 205.03898 153.4
[M+K]+ 225.96832 136.2
[M+H-H2O]+ 170.00242 132.2
[M+HCOO]- 232.00336 155.4
[M+CH3COO]- 246.01901 174.0
[M+Na-2H]- 207.97983 138.9
[M]+ 187.00461 133.5
[M]- 187.00571 133.5
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