CID 138039635

2241140-11-2

Structural Information

Molecular Formula
C11H13N3O2S2
SMILES
C1COCCN1S(=N)(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H13N3O2S2/c12-18(15,14-5-7-16-8-6-14)11-13-9-3-1-2-4-10(9)17-11/h1-4,12H,5-8H2
InChIKey
SJLXXZQLVVVVKL-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl-imino-morpholin-4-yl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04492 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.052196 157.9
[M+Na]+ 306.034138 167.4
[M-H]- 282.037644 163.5
[M+NH4]+ 301.078743 173.2
[M+K]+ 322.008078 163.2
[M+H-H2O]+ 266.042180 151.9
[M+HCOO]- 328.043121 168.2
[M+CH3COO]- 342.058771 169.4
[M+Na-2H]- 304.019586 162.9
[M]+ 283.04437142 158.6
[M]- 283.04546858 158.6
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.