CID 80517033

1503338-67-7

Structural Information

Molecular Formula
C21H21NO6S
SMILES
C1CS(=O)(=O)CC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO6S/c23-20(24)11-14-13-29(26,27)10-9-22(14)21(25)28-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKey
ZXWGKTNAYMLEAB-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinan-3-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 194.3
[M+Na]+ 438.09817 200.9
[M-H]- 414.10167 199.5
[M+NH4]+ 433.14277 208.4
[M+K]+ 454.07211 196.7
[M+H-H2O]+ 398.10621 187.4
[M+HCOO]- 460.10715 204.2
[M+CH3COO]- 474.12280 217.9
[M+Na-2H]- 436.08362 194.4
[M]+ 415.10840 197.7
[M]- 415.10950 197.7
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.