CID 15955529

Schembl6814823

Structural Information

Molecular Formula
C20H15ClF2N4OS
SMILES
C1=CC(=C(C(=C1)Cl)N)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C20H15ClF2N4OS/c21-13-3-1-6-16(18(13)24)27-20(29)26-12-9-7-11(8-10-12)25-19(28)17-14(22)4-2-5-15(17)23/h1-10H,24H2,(H,25,28)(H2,26,27,29)
InChIKey
PFQSWLSSDSYKLR-UHFFFAOYSA-N
Compound name
N-[4-[(2-amino-3-chlorophenyl)carbamothioylamino]phenyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

432.06232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.06960 196.6
[M+Na]+ 455.05154 204.0
[M-H]- 431.05504 203.4
[M+NH4]+ 450.09614 206.3
[M+K]+ 471.02548 195.1
[M+H-H2O]+ 415.05958 186.4
[M+HCOO]- 477.06052 210.4
[M+CH3COO]- 491.07617 234.4
[M+Na-2H]- 453.03699 195.8
[M]+ 432.06177 195.1
[M]- 432.06287 195.1
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