CID 135467683

Nsc659979

Structural Information

Molecular Formula
C12H11N2O2S2
SMILES
CCOC1=CC=C(C=C1)N=CC2=[S+]C(=S)NC2=O
InChI
InChI=1S/C12H10N2O2S2/c1-2-16-9-5-3-8(4-6-9)13-7-10-11(15)14-12(17)18-10/h3-7H,2H2,1H3/p+1
InChIKey
JYBMSNLAVUELMJ-UHFFFAOYSA-O
Compound name
5-[(4-ethoxyphenyl)iminomethyl]-2-sulfanylidene-1,3-thiazol-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.02618 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03346 158.4
[M+Na]+ 302.01540 167.6
[M-H]- 278.01890 164.4
[M+NH4]+ 297.06000 175.3
[M+K]+ 317.98934 155.9
[M+H-H2O]+ 262.02344 154.4
[M+HCOO]- 324.02438 172.4
[M+CH3COO]- 338.04003 189.4
[M+Na-2H]- 300.00085 160.1
[M]+ 279.02563 159.2
[M]- 279.02673 159.2
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.