CID 258808

2-benzothiazolinethione, 3-(morpholinomethyl)-

Structural Information

Molecular Formula
C12H14N2OS2
SMILES
C1COCCN1CN2C3=CC=CC=C3SC2=S
InChI
InChI=1S/C12H14N2OS2/c16-12-14(9-13-5-7-15-8-6-13)10-3-1-2-4-11(10)17-12/h1-4H,5-9H2
InChIKey
YGYXYFFFRWOVAE-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

266.05475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06203 153.2
[M+Na]+ 289.04397 163.9
[M-H]- 265.04747 159.0
[M+NH4]+ 284.08857 170.1
[M+K]+ 305.01791 159.4
[M+H-H2O]+ 249.05201 147.2
[M+HCOO]- 311.05295 163.4
[M+CH3COO]- 325.06860 165.4
[M+Na-2H]- 287.02942 154.9
[M]+ 266.05420 155.2
[M]- 266.05530 155.2
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