CID 15955530

Schembl6814593

Structural Information

Molecular Formula
C20H16FN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)O)F
InChI
InChI=1S/C20H16FN3O2S/c21-18-7-2-1-6-17(18)19(26)22-13-8-10-14(11-9-13)23-20(27)24-15-4-3-5-16(25)12-15/h1-12,25H,(H,22,26)(H2,23,24,27)
InChIKey
PYFCUWBHRSUVGU-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3-hydroxyphenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

381.09473 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10201 185.8
[M+Na]+ 404.08395 190.9
[M-H]- 380.08745 192.6
[M+NH4]+ 399.12855 195.9
[M+K]+ 420.05789 183.8
[M+H-H2O]+ 364.09199 175.6
[M+HCOO]- 426.09293 203.5
[M+CH3COO]- 440.10858 221.0
[M+Na-2H]- 402.06940 187.5
[M]+ 381.09418 182.9
[M]- 381.09528 182.9
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