CID 5272242

Chembl425537

Structural Information

Molecular Formula
C23H22FN3O2S
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC
InChI
InChI=1S/C23H22FN3O2S/c1-15(16-7-9-17(24)10-8-16)25-23(30)27-19-13-11-18(12-14-19)26-22(28)20-5-3-4-6-21(20)29-2/h3-15H,1-2H3,(H,26,28)(H2,25,27,30)
InChIKey
LDSWYNOVUGAEFH-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

423.14166 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14894 199.8
[M+Na]+ 446.13088 203.5
[M-H]- 422.13438 207.4
[M+NH4]+ 441.17548 208.7
[M+K]+ 462.10482 197.4
[M+H-H2O]+ 406.13892 188.8
[M+HCOO]- 468.13986 216.8
[M+CH3COO]- 482.15551 232.8
[M+Na-2H]- 444.11633 199.3
[M]+ 423.14111 199.1
[M]- 423.14221 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe