CID 9578413

14052-77-8

Structural Information

Molecular Formula
C10H12N4O3S
SMILES
C1CCN(C1)C(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O3S/c15-14(16)9-4-3-8(17-9)7-11-12-10(18)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,12,18)/b11-7+
InChIKey
ZUVCLMKNLFBPAE-YRNVUSSQSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrrolidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07030 157.2
[M+Na]+ 291.05224 164.6
[M+NH4]+ 286.09684 163.8
[M+K]+ 307.02618 164.8
[M-H]- 267.05574 161.9
[M+Na-2H]- 289.03769 160.5
[M]+ 268.06247 159.4
[M]- 268.06357 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.