CID 9579441

8-methoxy-3,3-dimethyl-2h-thiopyrano[3,2-b]benzothiophen-4-one oxime

Structural Information

Molecular Formula
C14H15NO2S2
SMILES
CC\1(CSC2=C(/C1=N/O)SC3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C14H15NO2S2/c1-14(2)7-18-11-9-6-8(17-3)4-5-10(9)19-12(11)13(14)15-16/h4-6,16H,7H2,1-3H3/b15-13-
InChIKey
VEDQYIZTSDPWBV-SQFISAMPSA-N
Compound name
(NE)-N-(8-methoxy-3,3-dimethyl-2H-thiopyrano[3,2-b][1]benzothiol-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06168 159.5
[M+Na]+ 316.04362 170.5
[M-H]- 292.04712 165.1
[M+NH4]+ 311.08822 182.1
[M+K]+ 332.01756 165.3
[M+H-H2O]+ 276.05166 155.3
[M+HCOO]- 338.05260 172.3
[M+CH3COO]- 352.06825 172.2
[M+Na-2H]- 314.02907 163.8
[M]+ 293.05385 165.4
[M]- 293.05495 165.4
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.