CID 155736

Cp 82828

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CC1CN(CC(O1)C)C(=O)CN2C3=CC=CC=C3SC2=O
InChI
InChI=1S/C15H18N2O3S/c1-10-7-16(8-11(2)20-10)14(18)9-17-12-5-3-4-6-13(12)21-15(17)19/h3-6,10-11H,7-9H2,1-2H3
InChIKey
TUEXKJIOFODCLF-UHFFFAOYSA-N
Compound name
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 168.7
[M+Na]+ 329.09304 178.6
[M-H]- 305.09654 175.1
[M+NH4]+ 324.13764 183.6
[M+K]+ 345.06698 175.4
[M+H-H2O]+ 289.10108 161.6
[M+HCOO]- 351.10202 182.2
[M+CH3COO]- 365.11767 180.4
[M+Na-2H]- 327.07849 168.6
[M]+ 306.10327 172.8
[M]- 306.10437 172.8
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

No patent data available for this compound.