CID 15955580

Schembl6815118

Structural Information

Molecular Formula
C22H19FIN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCOC3=CC=C(C=C3)I)F
InChI
InChI=1S/C22H19FIN3O2S/c23-20-4-2-1-3-19(20)21(28)26-16-7-9-17(10-8-16)27-22(30)25-13-14-29-18-11-5-15(24)6-12-18/h1-12H,13-14H2,(H,26,28)(H2,25,27,30)
InChIKey
LPKIJZLPKZZEJV-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[2-(4-iodophenoxy)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

535.02264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.02992 216.7
[M+Na]+ 558.01186 213.7
[M-H]- 534.01536 216.4
[M+NH4]+ 553.05646 220.7
[M+K]+ 573.98580 212.8
[M+H-H2O]+ 518.01990 201.6
[M+HCOO]- 580.02084 229.4
[M+CH3COO]- 594.03649 237.1
[M+Na-2H]- 555.99731 205.0
[M]+ 535.02209 213.0
[M]- 535.02319 213.0
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