CID 23654305

Irc-083927

Structural Information

Molecular Formula
C22H19FN4O4S
SMILES
C1=CC=C(C=C1)OCC2=NC=C(N2)C3=CC=C(C=C3)OC4=CC(=C(C=C4)NS(=O)(=O)N)F
InChI
InChI=1S/C22H19FN4O4S/c23-19-12-18(10-11-20(19)27-32(24,28)29)31-17-8-6-15(7-9-17)21-13-25-22(26-21)14-30-16-4-2-1-3-5-16/h1-13,27H,14H2,(H,25,26)(H2,24,28,29)
InChIKey
OTONMEUXEIQINP-UHFFFAOYSA-N
Compound name
5-[4-[3-fluoro-4-(sulfamoylamino)phenoxy]phenyl]-2-(phenoxymethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

454.1111 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.11838 203.0
[M+Na]+ 477.10032 214.6
[M+NH4]+ 472.14492 207.4
[M+K]+ 493.07426 208.7
[M-H]- 453.10382 207.5
[M+Na-2H]- 475.08577 212.1
[M]+ 454.11055 206.1
[M]- 454.11165 206.1
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