CID 5482766

[5-(5-nitro(2-furyl))(1,3,4-thiadiazol-2-yl)]thiocarbohydrazide

Structural Information

Molecular Formula
C7H5N5O4S2
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)SC(=O)NN
InChI
InChI=1S/C7H5N5O4S2/c8-9-6(13)18-7-11-10-5(17-7)3-1-2-4(16-3)12(14)15/h1-2H,8H2,(H,9,13)
InChIKey
VWNBAZXBQANTJO-UHFFFAOYSA-N
Compound name
S-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]] N-aminocarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.9783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98558 154.4
[M+Na]+ 309.96752 162.9
[M-H]- 285.97102 160.4
[M+NH4]+ 305.01212 168.5
[M+K]+ 325.94146 155.9
[M+H-H2O]+ 269.97556 151.7
[M+HCOO]- 331.97650 171.7
[M+CH3COO]- 345.99215 190.3
[M+Na-2H]- 307.95297 158.6
[M]+ 286.97775 155.4
[M]- 286.97885 155.4
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.