CID 512479

[1]benzothieno[2,3-f]imidazo[1,2-d][1,4]thiazepine, 5,6-dihydro-9-methoxy-, 7-oxide

Structural Information

Molecular Formula
C14H12N2O2S2
SMILES
COC1=CC2=C(C=C1)SC3=C2S(=O)CCN4C3=NC=C4
InChI
InChI=1S/C14H12N2O2S2/c1-18-9-2-3-11-10(8-9)13-12(19-11)14-15-4-5-16(14)6-7-20(13)17/h2-5,8H,6-7H2,1H3
InChIKey
UASGJTHKZFBLJQ-UHFFFAOYSA-N
Compound name
13-methoxy-9lambda4,17-dithia-3,6-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11(16),12,14-hexaene 9-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03403 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04131 169.9
[M+Na]+ 327.02325 181.9
[M-H]- 303.02675 176.5
[M+NH4]+ 322.06785 189.5
[M+K]+ 342.99719 180.3
[M+H-H2O]+ 287.03129 166.1
[M+HCOO]- 349.03223 181.7
[M+CH3COO]- 363.04788 182.0
[M+Na-2H]- 325.00870 170.8
[M]+ 304.03348 175.0
[M]- 304.03458 175.0
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.