CID 10294284

Schembl6816375

Structural Information

Molecular Formula
C20H16F2N4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)F)N)F
InChI
InChI=1S/C20H16F2N4OS/c21-12-5-10-17(23)18(11-12)26-20(28)25-14-8-6-13(7-9-14)24-19(27)15-3-1-2-4-16(15)22/h1-11H,23H2,(H,24,27)(H2,25,26,28)
InChIKey
AQYKJMOSYVEXMK-UHFFFAOYSA-N
Compound name
N-[4-[(2-amino-5-fluorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

398.1013 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10858 189.3
[M+Na]+ 421.09052 195.2
[M-H]- 397.09402 195.8
[M+NH4]+ 416.13512 199.1
[M+K]+ 437.06446 187.5
[M+H-H2O]+ 381.09856 177.9
[M+HCOO]- 443.09950 207.5
[M+CH3COO]- 457.11515 229.7
[M+Na-2H]- 419.07597 189.7
[M]+ 398.10075 184.7
[M]- 398.10185 184.7
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