CID 9567562

[(e)-(5-nitrothiazol-2-yl)methyleneamino]urea

Structural Information

Molecular Formula
C5H5N5O3S
SMILES
C1=C(SC(=N1)/C=N/NC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C5H5N5O3S/c6-5(11)9-8-1-3-7-2-4(14-3)10(12)13/h1-2H,(H3,6,9,11)/b8-1+
InChIKey
SCKHYDJEZOXWEY-UNXLUWIOSA-N
Compound name
[(E)-(5-nitro-1,3-thiazol-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0113 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01858 137.6
[M+Na]+ 238.00052 143.8
[M-H]- 214.00402 141.3
[M+NH4]+ 233.04512 155.2
[M+K]+ 253.97446 138.1
[M+H-H2O]+ 198.00856 134.3
[M+HCOO]- 260.00950 161.7
[M+CH3COO]- 274.02515 184.1
[M+Na-2H]- 235.98597 143.5
[M]+ 215.01075 135.3
[M]- 215.01185 135.3
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

No patent data available for this compound.