CID 132284603

2127078-88-8

Structural Information

Molecular Formula
C26H24N2O6S
SMILES
C1CN(CCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)S(=O)(=O)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C26H24N2O6S/c29-25(30)18-9-11-19(12-10-18)35(32,33)28-15-13-27(14-16-28)26(31)34-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,24H,13-17H2,(H,29,30)
InChIKey
LUGNKMAPUHAWDO-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]sulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.14278 210.4
[M+Na]+ 515.12472 221.8
[M+NH4]+ 510.16932 215.5
[M+K]+ 531.09866 216.5
[M-H]- 491.12822 213.2
[M+Na-2H]- 513.11017 215.6
[M]+ 492.13495 213.0
[M]- 492.13605 213.0
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.