CID 1912494

303059-39-4

Structural Information

Molecular Formula
C23H28N2O8S2
SMILES
CN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)N(C)CCCC(=O)O
InChI
InChI=1S/C23H28N2O8S2/c1-24(11-3-5-22(26)27)34(30,31)18-7-9-20-16(14-18)13-17-15-19(8-10-21(17)20)35(32,33)25(2)12-4-6-23(28)29/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
OVLVWTBOQLHECZ-UHFFFAOYSA-N
Compound name
4-[[7-[3-carboxypropyl(methyl)sulfamoyl]-9H-fluoren-2-yl]sulfonyl-methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1287 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.13598 218.6
[M+Na]+ 547.11792 220.5
[M-H]- 523.12142 221.4
[M+NH4]+ 542.16252 226.8
[M+K]+ 563.09186 218.7
[M+H-H2O]+ 507.12596 212.8
[M+HCOO]- 569.12690 225.0
[M+CH3COO]- 583.14255 245.7
[M+Na-2H]- 545.10337 222.3
[M]+ 524.12815 228.4
[M]- 524.12925 228.4
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.