CID 9578504

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

Structural Information

Molecular Formula
C10H11N3O3S2
SMILES
C/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C=N/NC(=S)SC
InChI
InChI=1S/C10H11N3O3S2/c1-7(6-11-12-10(17)18-2)5-8-3-4-9(16-8)13(14)15/h3-6H,1-2H3,(H,12,17)/b7-5+,11-6+
InChIKey
XGADGZQRCNXVKW-YXJPLFFZSA-N
Compound name
methyl N-[(E)-[(E)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.02417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03145 163.8
[M+Na]+ 308.01339 168.9
[M-H]- 284.01689 168.8
[M+NH4]+ 303.05799 179.4
[M+K]+ 323.98733 161.4
[M+H-H2O]+ 268.02143 161.0
[M+HCOO]- 330.02237 179.4
[M+CH3COO]- 344.03802 195.4
[M+Na-2H]- 305.99884 165.3
[M]+ 285.02362 163.9
[M]- 285.02472 163.9
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.