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

9
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

literature stripe

Patent stripe

patents stripe