CID 9570178

Usaf ea-10

Structural Information

Molecular Formula
C9H10N4O4S
SMILES
C1CN(C(=S)N1CO)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4S/c14-6-11-3-4-12(9(11)18)10-5-7-1-2-8(17-7)13(15)16/h1-2,5,14H,3-4,6H2/b10-5+
InChIKey
WMZIDVPIJMSJOI-BJMVGYQFSA-N
Compound name
1-(hydroxymethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.04227 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04955 158.0
[M+Na]+ 293.03149 165.1
[M-H]- 269.03499 163.7
[M+NH4]+ 288.07609 173.2
[M+K]+ 309.00543 159.2
[M+H-H2O]+ 253.03953 155.5
[M+HCOO]- 315.04047 176.9
[M+CH3COO]- 329.05612 188.4
[M+Na-2H]- 291.01694 160.5
[M]+ 270.04172 157.5
[M]- 270.04282 157.5
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

patents stripe