CID 201711

Brn 1015800

Structural Information

Molecular Formula
C8H8N4O4S
SMILES
CC(=O)N1CCN(C1=O)C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4S/c1-5(13)10-2-3-11(8(10)14)7-9-4-6(17-7)12(15)16/h4H,2-3H2,1H3
InChIKey
FDPQYOJFYFEPCA-UHFFFAOYSA-N
Compound name
1-acetyl-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.0266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03388 154.2
[M+Na]+ 279.01582 162.3
[M-H]- 255.01932 158.5
[M+NH4]+ 274.06042 170.3
[M+K]+ 294.98976 156.6
[M+H-H2O]+ 239.02386 151.6
[M+HCOO]- 301.02480 171.1
[M+CH3COO]- 315.04045 184.1
[M+Na-2H]- 277.00127 154.7
[M]+ 256.02605 153.5
[M]- 256.02715 153.5
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