CID 132327555

2137761-07-8

Structural Information

Molecular Formula
C21H21NO6S
SMILES
C1CS(=O)(=O)C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO6S/c23-20(24)11-14-12-22(9-10-29(14,26)27)21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKey
LVUXMQFWQRXKER-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11623 193.3
[M+Na]+ 438.09817 203.5
[M+NH4]+ 433.14277 200.5
[M+K]+ 454.07211 196.2
[M-H]- 414.10167 194.5
[M+Na-2H]- 436.08362 197.3
[M]+ 415.10840 195.4
[M]- 415.10950 195.4
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.