CID 5746485

Brn 4513994

Structural Information

Molecular Formula
C8H8N4O4S
SMILES
C1CSC(=N1)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4S/c13-7(10-11-8-9-3-4-17-8)5-1-2-6(16-5)12(14)15/h1-2H,3-4H2,(H,9,11)(H,10,13)
InChIKey
YBXNUBAJENZLEN-UHFFFAOYSA-N
Compound name
N'-(4,5-dihydro-1,3-thiazol-2-yl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 151.3
[M+Na]+ 279.01582 156.7
[M-H]- 255.01932 158.1
[M+NH4]+ 274.06042 167.6
[M+K]+ 294.98976 152.0
[M+H-H2O]+ 239.02386 148.6
[M+HCOO]- 301.02480 173.0
[M+CH3COO]- 315.04045 185.2
[M+Na-2H]- 277.00127 156.3
[M]+ 256.02605 149.9
[M]- 256.02715 149.9
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.