CID 9576141

Usaf ea-8

Structural Information

Molecular Formula
C9H9N3O4S
SMILES
CC1CN(C(=S)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O4S/c1-6-5-11(9(17)15-6)10-4-7-2-3-8(16-7)12(13)14/h2-4,6H,5H2,1H3/b10-4+
InChIKey
XOZHNYXWDMECNX-ONNFQVAWSA-N
Compound name
5-methyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.03137 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03865 156.3
[M+Na]+ 278.02059 164.1
[M-H]- 254.02409 165.2
[M+NH4]+ 273.06519 172.9
[M+K]+ 293.99453 159.9
[M+H-H2O]+ 238.02863 154.9
[M+HCOO]- 300.02957 177.0
[M+CH3COO]- 314.04522 188.6
[M+Na-2H]- 276.00604 159.6
[M]+ 255.03082 157.8
[M]- 255.03192 157.8
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.