CID 154699496

Ns00117261

Structural Information

Molecular Formula
C18H23NO5S
SMILES
C1C2CC(C1C(C2C/C=C\CC(=O)O)NS(=O)(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H23NO5S/c20-16-11-12-10-15(16)18(14(12)8-4-5-9-17(21)22)19-25(23,24)13-6-2-1-3-7-13/h1-7,12,14-16,18-20H,8-11H2,(H,21,22)/b5-4-
InChIKey
AXYCZOBHLHHYRD-PLNGDYQASA-N
Compound name
(Z)-5-[3-(benzenesulfonamido)-5-hydroxy-2-bicyclo[2.2.1]heptanyl]pent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13698 186.0
[M+Na]+ 388.11892 190.7
[M-H]- 364.12242 188.9
[M+NH4]+ 383.16352 202.3
[M+K]+ 404.09286 186.0
[M+H-H2O]+ 348.12696 181.9
[M+HCOO]- 410.12790 197.9
[M+CH3COO]- 424.14355 209.3
[M+Na-2H]- 386.10437 184.9
[M]+ 365.12915 187.5
[M]- 365.13025 187.5
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.