CID 112560

63123-24-0

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CCN1C(=S)SC2C1(C3=CC=CC=C3CC2)O
InChI
InChI=1S/C13H15NOS2/c1-2-14-12(16)17-11-8-7-9-5-3-4-6-10(9)13(11,14)15/h3-6,11,15H,2,7-8H2,1H3
InChIKey
PXEVCCWNIZWIDE-UHFFFAOYSA-N
Compound name
1-ethyl-9b-hydroxy-4,5-dihydro-3aH-benzo[e][1,3]benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 155.6
[M+Na]+ 288.04872 166.6
[M+NH4]+ 283.09332 167.2
[M+K]+ 304.02266 155.6
[M-H]- 264.05222 158.0
[M+Na-2H]- 286.03417 159.9
[M]+ 265.05895 159.0
[M]- 265.06005 159.0
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.