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 201.9
[M+Na]+ 477.10032 209.2
[M-H]- 453.10382 209.9
[M+NH4]+ 472.14492 208.0
[M+K]+ 493.07426 201.9
[M+H-H2O]+ 437.10836 190.8
[M+HCOO]- 499.10930 217.8
[M+CH3COO]- 513.12495 209.9
[M+Na-2H]- 475.08577 204.1
[M]+ 454.11055 202.7
[M]- 454.11165 202.7
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