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]+ 306.07292 170.2
[M+Na]+ 328.05486 182.5
[M-H]- 304.05836 175.0
[M+NH4]+ 323.09946 188.0
[M+K]+ 344.02880 176.2
[M+H-H2O]+ 288.06290 165.2
[M+HCOO]- 350.06384 178.6
[M+CH3COO]- 364.07949 181.6
[M+Na-2H]- 326.04031 163.9
[M]+ 305.06509 172.9
[M]- 305.06619 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.