CID 7231

2-(morpholinodithio)benzothiazole

Structural Information

Molecular Formula
C11H12N2OS3
SMILES
C1COCCN1SSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKey
QRYFCNPYGUORTK-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yldisulfanyl)morpholine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

3716
Patents

284.01117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01845 152.8
[M+Na]+ 307.00039 163.3
[M-H]- 283.00389 157.7
[M+NH4]+ 302.04499 168.8
[M+K]+ 322.97433 158.2
[M+H-H2O]+ 267.00843 147.8
[M+HCOO]- 329.00937 158.1
[M+CH3COO]- 343.02502 164.1
[M+Na-2H]- 304.98584 155.0
[M]+ 284.01062 154.4
[M]- 284.01172 154.4
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

patents stripe