CID 9578470

Brn 0564984

Structural Information

Molecular Formula
C9H7N5O3S2
SMILES
C1=C(SC(=C1)[N+](=O)[O-])C2=NC(=CS2)/C=N/NC(=O)N
InChI
InChI=1S/C9H7N5O3S2/c10-9(15)13-11-3-5-4-18-8(12-5)6-1-2-7(19-6)14(16)17/h1-4H,(H3,10,13,15)/b11-3+
InChIKey
CHCDWQYVKUUPAZ-QDEBKDIKSA-N
Compound name
[(E)-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00630 159.3
[M+Na]+ 319.98824 166.8
[M-H]- 295.99174 166.6
[M+NH4]+ 315.03284 175.7
[M+K]+ 335.96218 158.3
[M+H-H2O]+ 279.99628 155.8
[M+HCOO]- 341.99722 179.8
[M+CH3COO]- 356.01287 197.5
[M+Na-2H]- 317.97369 163.0
[M]+ 296.99847 159.3
[M]- 296.99957 159.3
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.