CID 146319102

(e)-3-(2-((5-(3-(phenylsulfonamido)phenyl)pent-4-en-1-yl)oxy)phenyl)propanoic acid

Structural Information

Molecular Formula
C26H27NO5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)/C=C/CCCOC3=CC=CC=C3CCC(=O)O
InChI
InChI=1S/C26H27NO5S/c28-26(29)18-17-22-12-6-7-16-25(22)32-19-8-2-3-10-21-11-9-13-23(20-21)27-33(30,31)24-14-4-1-5-15-24/h1,3-7,9-16,20,27H,2,8,17-19H2,(H,28,29)/b10-3+
InChIKey
MRQCTVFREAWOSE-XCVCLJGOSA-N
Compound name
3-[2-[(E)-5-[3-(benzenesulfonamido)phenyl]pent-4-enoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

465.16098 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.16826 211.1
[M+Na]+ 488.15020 222.7
[M+NH4]+ 483.19480 215.9
[M+K]+ 504.12414 213.2
[M-H]- 464.15370 215.2
[M+Na-2H]- 486.13565 219.1
[M]+ 465.16043 214.2
[M]- 465.16153 214.2
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

patents stripe