CID 9570729

Usaf ea-9

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
C1CN(C(=S)N1CCO)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4S/c15-6-5-12-3-4-13(10(12)19)11-7-8-1-2-9(18-8)14(16)17/h1-2,7,15H,3-6H2/b11-7+
InChIKey
ZJWHJRDNKOGGRV-YRNVUSSQSA-N
Compound name
1-(2-hydroxyethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05792 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 162.5
[M+Na]+ 307.04714 169.2
[M-H]- 283.05064 168.0
[M+NH4]+ 302.09174 177.2
[M+K]+ 323.02108 163.1
[M+H-H2O]+ 267.05518 159.8
[M+HCOO]- 329.05612 181.1
[M+CH3COO]- 343.07177 191.4
[M+Na-2H]- 305.03259 164.6
[M]+ 284.05737 162.4
[M]- 284.05847 162.4
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.