CID 15955651

Schembl6815403

Structural Information

Molecular Formula
C22H20FN3O2S
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C22H20FN3O2S/c1-14(15-2-6-17(23)7-3-15)24-22(29)26-19-10-8-18(9-11-19)25-21(28)16-4-12-20(27)13-5-16/h2-14,27H,1H3,(H,25,28)(H2,24,26,29)
InChIKey
RRAPFJYFONPTTE-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

409.12604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13332 194.6
[M+Na]+ 432.11526 198.4
[M-H]- 408.11876 201.1
[M+NH4]+ 427.15986 203.4
[M+K]+ 448.08920 191.7
[M+H-H2O]+ 392.12330 184.2
[M+HCOO]- 454.12424 210.6
[M+CH3COO]- 468.13989 227.8
[M+Na-2H]- 430.10071 194.4
[M]+ 409.12549 191.8
[M]- 409.12659 191.8
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