CID 9570178

2-imidazolidinethione, 1-hydroxymethyl-3-(5-nitrofurfurylideneamino)-

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]+ 271.049546 158.0
[M+Na]+ 293.031488 165.1
[M-H]- 269.034994 163.7
[M+NH4]+ 288.076093 173.2
[M+K]+ 309.005428 159.2
[M+H-H2O]+ 253.039530 155.5
[M+HCOO]- 315.040471 176.9
[M+CH3COO]- 329.056121 188.4
[M+Na-2H]- 291.016936 160.5
[M]+ 270.04172142 157.5
[M]- 270.04281858 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