CID 9570355

20091-89-8

Structural Information

Molecular Formula
C11H11N3O3S2
SMILES
CSC(=S)N/N=C/C=C/C=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H11N3O3S2/c1-19-11(18)13-12-8-4-2-3-5-9-6-7-10(17-9)14(15)16/h2-8H,1H3,(H,13,18)/b4-2+,5-3+,12-8+
InChIKey
VVYCACALVYFQFN-PDOKFTAVSA-N
Compound name
methyl N-[(E)-[(2E,4E)-5-(5-nitrofuran-2-yl)penta-2,4-dienylidene]amino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.02417 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.031446 167.8
[M+Na]+ 320.013388 173.1
[M-H]- 296.016894 172.6
[M+NH4]+ 315.057993 183.0
[M+K]+ 335.987328 164.2
[M+H-H2O]+ 280.021430 164.7
[M+HCOO]- 342.022371 184.3
[M+CH3COO]- 356.038021 196.1
[M+Na-2H]- 317.998836 169.6
[M]+ 297.02362142 168.0
[M]- 297.02471858 168.0
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.