CID 101575

102-78-3

Structural Information

Molecular Formula
C13H16N2OS2
SMILES
CC1CN(CC(O1)C)SC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H16N2OS2/c1-9-7-15(8-10(2)16-9)18-13-14-11-5-3-4-6-12(11)17-13/h3-6,9-10H,7-8H2,1-2H3
InChIKey
DNPSGCQXSGVQSK-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

280.0704 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07768 158.2
[M+Na]+ 303.05962 171.9
[M+NH4]+ 298.10422 168.1
[M+K]+ 319.03356 162.5
[M-H]- 279.06312 163.8
[M+Na-2H]- 301.04507 163.6
[M]+ 280.06985 162.8
[M]- 280.07095 162.8
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

patents stripe