CID 3048019

4-methyl-1,5-benzothiazepin-2(3h)-one

Structural Information

Molecular Formula
C10H9NOS
SMILES
CC1=NC2=CC=CC=C2SC(=O)C1
InChI
InChI=1S/C10H9NOS/c1-7-6-10(12)13-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3
InChIKey
CSWLHQJEBGLHMJ-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,5-benzothiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 136.9
[M+Na]+ 214.02970 149.0
[M+NH4]+ 209.07430 145.9
[M+K]+ 230.00364 141.6
[M-H]- 190.03320 139.5
[M+Na-2H]- 212.01515 143.5
[M]+ 191.03993 139.9
[M]- 191.04103 139.9
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.