CID 4519735

2-(propylthio)benzothiazole

Structural Information

Molecular Formula
C10H11NS2
SMILES
CCCSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H11NS2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3
InChIKey
CIMWYVHVXVPYOO-UHFFFAOYSA-N
Compound name
2-propylsulfanyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

209.0333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 139.5
[M+Na]+ 232.02252 151.2
[M-H]- 208.02602 143.5
[M+NH4]+ 227.06712 161.5
[M+K]+ 247.99646 146.4
[M+H-H2O]+ 192.03056 134.4
[M+HCOO]- 254.03150 154.1
[M+CH3COO]- 268.04715 153.5
[M+Na-2H]- 230.00797 142.5
[M]+ 209.03275 145.2
[M]- 209.03385 145.2
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.