CID 9579443

[(e)-(8-methoxy-3-methyl-2,3-dihydrothiopyrano[3,2-b]benzothiophen-4-ylidene)amino] acetate

Structural Information

Molecular Formula
C15H15NO3S2
SMILES
CC\1CSC2=C(/C1=N/OC(=O)C)SC3=C2C=C(C=C3)OC
InChI
InChI=1S/C15H15NO3S2/c1-8-7-20-14-11-6-10(18-3)4-5-12(11)21-15(14)13(8)16-19-9(2)17/h4-6,8H,7H2,1-3H3/b16-13+
InChIKey
WAOPGUUXLWKCCY-DTQAZKPQSA-N
Compound name
[(E)-(8-methoxy-3-methyl-2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-ylidene)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05663 169.0
[M+Na]+ 344.03857 178.7
[M-H]- 320.04207 175.7
[M+NH4]+ 339.08317 188.9
[M+K]+ 360.01251 174.5
[M+H-H2O]+ 304.04661 163.8
[M+HCOO]- 366.04755 182.2
[M+CH3COO]- 380.06320 208.9
[M+Na-2H]- 342.02402 170.7
[M]+ 321.04880 176.5
[M]- 321.04990 176.5
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.