CID 9578505

Methyl 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithiocarbazate

Structural Information

Molecular Formula
C11H13N3O3S2
SMILES
CC/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C=N/NC(=S)SC
InChI
InChI=1S/C11H13N3O3S2/c1-3-8(7-12-13-11(18)19-2)6-9-4-5-10(17-9)14(15)16/h4-7H,3H2,1-2H3,(H,13,18)/b8-6+,12-7+
InChIKey
UYUHWXDUDNHWCQ-ULBORTECSA-N
Compound name
methyl N-[(E)-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]butylidene]amino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04711 165.6
[M+Na]+ 322.02905 172.6
[M+NH4]+ 317.07365 171.7
[M+K]+ 338.00299 168.8
[M-H]- 298.03255 168.9
[M+Na-2H]- 320.01450 167.1
[M]+ 299.03928 167.8
[M]- 299.04038 167.8
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.