CID 15955724

Schembl6815015

Structural Information

Molecular Formula
C21H16Cl2FN3O2S
SMILES
COC1=C(C=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C21H16Cl2FN3O2S/c1-29-19-16(22)10-14(11-17(19)23)27-21(30)26-13-8-6-12(7-9-13)25-20(28)15-4-2-3-5-18(15)24/h2-11H,1H3,(H,25,28)(H2,26,27,30)
InChIKey
IDUDBNDJHAFEJT-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-methoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

463.03244 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.03972 202.6
[M+Na]+ 486.02166 210.4
[M-H]- 462.02516 210.7
[M+NH4]+ 481.06626 212.3
[M+K]+ 501.99560 202.0
[M+H-H2O]+ 446.02970 194.3
[M+HCOO]- 508.03064 212.2
[M+CH3COO]- 522.04629 235.7
[M+Na-2H]- 484.00711 201.8
[M]+ 463.03189 207.0
[M]- 463.03299 207.0
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