CID 15955441

Schembl6811608

Structural Information

Molecular Formula
C22H19ClFN3OS2
SMILES
CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2)SC)Cl)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H19ClFN3OS2/c1-13-11-14(25-22(29)26-15-8-10-20(30-2)17(23)12-15)7-9-19(13)27-21(28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,27,28)(H2,25,26,29)
InChIKey
FQVZBXNCAKUOGQ-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]-2-methylphenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

459.0642 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.07148 201.4
[M+Na]+ 482.05342 208.2
[M-H]- 458.05692 209.0
[M+NH4]+ 477.09802 210.8
[M+K]+ 498.02736 198.2
[M+H-H2O]+ 442.06146 192.4
[M+HCOO]- 504.06240 209.4
[M+CH3COO]- 518.07805 236.3
[M+Na-2H]- 480.03887 200.1
[M]+ 459.06365 203.6
[M]- 459.06475 203.6
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