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]+ 493.142776 214.1
[M+Na]+ 515.124718 218.6
[M-H]- 491.128224 220.7
[M+NH4]+ 510.169323 220.8
[M+K]+ 531.098658 213.9
[M+H-H2O]+ 475.132760 205.1
[M+HCOO]- 537.133701 220.8
[M+CH3COO]- 551.149351 220.2
[M+Na-2H]- 513.110166 214.0
[M]+ 492.13495142 215.8
[M]- 492.13604858 215.8
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.