CID 137698919

2137447-97-1

Structural Information

Molecular Formula
C20H19NO6S
SMILES
C1CS(=O)(=O)CC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO6S/c22-19(23)18-12-28(25,26)10-9-21(18)20(24)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChIKey
XTWXTTZLOJBEDT-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10060 189.1
[M+Na]+ 424.08254 199.5
[M+NH4]+ 419.12714 196.5
[M+K]+ 440.05648 192.5
[M-H]- 400.08604 190.3
[M+Na-2H]- 422.06799 193.4
[M]+ 401.09277 191.2
[M]- 401.09387 191.2
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.