CID 448940

Cp-271485

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CN1C2=C(CS1(=O)=O)C=C(C=C2)[C@H]3CN(C(=O)CO3)CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1
InChIKey
CIUMOGWIMXNXSQ-GOSISDBHSA-N
Compound name
(6S)-4-benzyl-6-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

372.11438 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 184.9
[M+Na]+ 395.10360 194.3
[M-H]- 371.10710 193.8
[M+NH4]+ 390.14820 198.3
[M+K]+ 411.07754 190.1
[M+H-H2O]+ 355.11164 176.5
[M+HCOO]- 417.11258 196.9
[M+CH3COO]- 431.12823 195.3
[M+Na-2H]- 393.08905 185.1
[M]+ 372.11383 187.0
[M]- 372.11493 187.0
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

No patent data available for this compound.