CID 101575

Morpholine, 4-(2-benzothiazolylthio)-2,6-dimethyl-

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

305
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 157.6
[M+Na]+ 303.05962 168.3
[M-H]- 279.06312 163.6
[M+NH4]+ 298.10422 174.2
[M+K]+ 319.03356 164.1
[M+H-H2O]+ 263.06766 151.6
[M+HCOO]- 325.06860 167.2
[M+CH3COO]- 339.08425 169.7
[M+Na-2H]- 301.04507 158.3
[M]+ 280.06985 161.0
[M]- 280.07095 161.0
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