CID 15955684

Schembl6816322

Structural Information

Molecular Formula
C22H19FIN3OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C22H19FIN3OS/c1-14(15-6-8-16(23)9-7-15)25-22(29)27-18-12-10-17(11-13-18)26-21(28)19-4-2-3-5-20(19)24/h2-14H,1H3,(H,26,28)(H2,25,27,29)
InChIKey
FEGFRCNPRNZYCH-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

519.0278 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.03508 212.3
[M+Na]+ 542.01702 209.2
[M-H]- 518.02052 212.1
[M+NH4]+ 537.06162 216.9
[M+K]+ 557.99096 208.3
[M+H-H2O]+ 502.02506 197.6
[M+HCOO]- 564.02600 223.8
[M+CH3COO]- 578.04165 236.0
[M+Na-2H]- 540.00247 199.5
[M]+ 519.02725 206.9
[M]- 519.02835 206.9
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