CID 44210816

Ns00116817

Structural Information

Molecular Formula
C20H27NO5S
SMILES
C1C2CC(C1C(C2C/C=C\CCCC(=O)O)NS(=O)(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C20H27NO5S/c22-18-13-14-12-17(18)20(16(14)10-6-1-2-7-11-19(23)24)21-27(25,26)15-8-4-3-5-9-15/h1,3-6,8-9,14,16-18,20-22H,2,7,10-13H2,(H,23,24)/b6-1-
InChIKey
VEADYYAHWFZYLA-BHQIHCQQSA-N
Compound name
(Z)-7-[3-(benzenesulfonamido)-5-hydroxy-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16098 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16826 192.5
[M+Na]+ 416.15020 197.1
[M+NH4]+ 411.19480 197.3
[M+K]+ 432.12414 194.7
[M-H]- 392.15370 191.1
[M+Na-2H]- 414.13565 191.3
[M]+ 393.16043 192.6
[M]- 393.16153 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.