CID 165595185

20048-70-8

Structural Information

Molecular Formula
C14H15N3OS2
SMILES
CCN1C(=O)C(=C2N(C3=CC=CC=C3N2C)C)SC1=S
InChI
InChI=1S/C14H15N3OS2/c1-4-17-13(18)11(20-14(17)19)12-15(2)9-7-5-6-8-10(9)16(12)3/h5-8H,4H2,1-3H3
InChIKey
VVMFKUGWECAHTI-UHFFFAOYSA-N
Compound name
5-(1,3-dimethylbenzimidazol-2-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06564 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.072916 170.2
[M+Na]+ 328.054858 182.5
[M-H]- 304.058364 175.0
[M+NH4]+ 323.099463 188.0
[M+K]+ 344.028798 176.2
[M+H-H2O]+ 288.062900 165.2
[M+HCOO]- 350.063841 178.6
[M+CH3COO]- 364.079491 181.6
[M+Na-2H]- 326.040306 163.9
[M]+ 305.06509142 172.9
[M]- 305.06618858 172.9
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.