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 159.7
[M+Na]+ 291.05224 164.3
[M-H]- 267.05574 167.2
[M+NH4]+ 286.09684 176.2
[M+K]+ 307.02618 159.1
[M+H-H2O]+ 251.06028 156.7
[M+HCOO]- 313.06122 180.7
[M+CH3COO]- 327.07687 191.1
[M+Na-2H]- 289.03769 162.7
[M]+ 268.06247 157.4
[M]- 268.06357 157.4
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.