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]+ 285.065196 162.5
[M+Na]+ 307.047138 169.2
[M-H]- 283.050644 168.0
[M+NH4]+ 302.091743 177.2
[M+K]+ 323.021078 163.1
[M+H-H2O]+ 267.055180 159.8
[M+HCOO]- 329.056121 181.1
[M+CH3COO]- 343.071771 191.4
[M+Na-2H]- 305.032586 164.6
[M]+ 284.05737142 162.4
[M]- 284.05846858 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.