CID 2245977

Chembl193783

Structural Information

Molecular Formula
C16H20N2S4
SMILES
CCC1=CC(=C(S1)S)C=NCCN=CC2=C(SC(=C2)CC)S
InChI
InChI=1S/C16H20N2S4/c1-3-13-7-11(15(19)21-13)9-17-5-6-18-10-12-8-14(4-2)22-16(12)20/h7-10,19-20H,3-6H2,1-2H3
InChIKey
VVEQTEZYLMMYBK-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-[(5-ethyl-2-sulfanylthiophen-3-yl)methylideneamino]ethyliminomethyl]thiophene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.05093 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05821 185.3
[M+Na]+ 391.04015 196.5
[M-H]- 367.04365 193.3
[M+NH4]+ 386.08475 203.0
[M+K]+ 407.01409 186.6
[M+H-H2O]+ 351.04819 178.9
[M+HCOO]- 413.04913 193.4
[M+CH3COO]- 427.06478 221.6
[M+Na-2H]- 389.02560 181.8
[M]+ 368.05038 190.7
[M]- 368.05148 190.7
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.