CID 15955542

Schembl6816774

Structural Information

Molecular Formula
C20H15Cl2FN4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C(=C3)Cl)N)Cl)F
InChI
InChI=1S/C20H15Cl2FN4OS/c21-15-9-13(10-16(22)18(15)24)27-20(29)26-12-7-5-11(6-8-12)25-19(28)14-3-1-2-4-17(14)23/h1-10H,24H2,(H,25,28)(H2,26,27,29)
InChIKey
LYOQPUXQMQXSAS-UHFFFAOYSA-N
Compound name
N-[4-[(4-amino-3,5-dichlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

448.03278 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.04006 199.9
[M+Na]+ 471.02200 207.4
[M-H]- 447.02550 207.4
[M+NH4]+ 466.06660 209.6
[M+K]+ 486.99594 198.3
[M+H-H2O]+ 431.03004 191.8
[M+HCOO]- 493.03098 209.9
[M+CH3COO]- 507.04663 207.9
[M+Na-2H]- 469.00745 199.0
[M]+ 448.03223 201.0
[M]- 448.03333 201.0
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