CID 49768046

Schembl4603976

Structural Information

Molecular Formula
C22H15FN4O4S
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)OC3=CC(=CC(=C3)C#N)C#N)F)S(=O)(=O)N
InChI
InChI=1S/C22H15FN4O4S/c23-20-10-14(11-22(28)27-17-2-4-19(5-3-17)32(26,29)30)1-6-21(20)31-18-8-15(12-24)7-16(9-18)13-25/h1-10H,11H2,(H,27,28)(H2,26,29,30)
InChIKey
WDWISVFLFGLRMR-UHFFFAOYSA-N
Compound name
2-[4-(3,5-dicyanophenoxy)-3-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

450.0798 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.08708 221.7
[M+Na]+ 473.06902 230.9
[M-H]- 449.07252 226.2
[M+NH4]+ 468.11362 226.4
[M+K]+ 489.04296 224.6
[M+H-H2O]+ 433.07706 203.6
[M+HCOO]- 495.07800 228.5
[M+CH3COO]- 509.09365 247.1
[M+Na-2H]- 471.05447 217.9
[M]+ 450.07925 213.6
[M]- 450.08035 213.6
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