CID 137952352

2219378-60-4

Structural Information

Molecular Formula
C20H19NO4S
SMILES
C1CSCN(C1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4S/c22-19(23)18-9-10-26-12-21(18)20(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChIKey
CNARUMHQNRRXRD-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11078 183.1
[M+Na]+ 392.09272 194.1
[M+NH4]+ 387.13732 190.9
[M+K]+ 408.06666 187.7
[M-H]- 368.09622 185.9
[M+Na-2H]- 390.07817 187.0
[M]+ 369.10295 185.7
[M]- 369.10405 185.7
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.