CID 622262

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOCC3)C
InChI
InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3
InChIKey
DZXMARZBAUMWLK-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

266.1089 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 158.8
[M+Na]+ 289.098118 166.6
[M-H]- 265.101624 163.9
[M+NH4]+ 284.142723 176.9
[M+K]+ 305.072058 164.5
[M+H-H2O]+ 249.106160 152.1
[M+HCOO]- 311.107101 169.3
[M+CH3COO]- 325.122751 170.1
[M+Na-2H]- 287.083566 159.8
[M]+ 266.10835142 157.9
[M]- 266.10944858 157.9
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