CID 15358178

181145-32-4

Structural Information

Molecular Formula
C7H7NOS2
SMILES
C1CSC2=C(NC1=O)SC=C2
InChI
InChI=1S/C7H7NOS2/c9-6-2-4-10-5-1-3-11-7(5)8-6/h1,3H,2,4H2,(H,8,9)
InChIKey
UIKHQEPCIICNJW-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-thieno[3,2-b][1,4]thiazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.9969 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.00418 137.5
[M+Na]+ 207.98612 143.7
[M-H]- 183.98962 140.1
[M+NH4]+ 203.03072 157.1
[M+K]+ 223.96006 143.6
[M+H-H2O]+ 167.99416 132.8
[M+HCOO]- 229.99510 146.8
[M+CH3COO]- 244.01075 148.8
[M+Na-2H]- 205.97157 137.7
[M]+ 184.99635 133.2
[M]- 184.99745 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.