CID 15954916

Schembl6815552

Structural Information

Molecular Formula
C23H22FN3OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H22FN3OS/c1-16(18-7-9-19(24)10-8-18)25-23(29)27-21-13-11-20(12-14-21)26-22(28)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,28)(H2,25,27,29)
InChIKey
ONDOYRGFZVQXCE-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

407.14676 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15404 195.9
[M+Na]+ 430.13598 199.0
[M-H]- 406.13948 203.1
[M+NH4]+ 425.18058 205.2
[M+K]+ 446.10992 192.0
[M+H-H2O]+ 390.14402 184.9
[M+HCOO]- 452.14496 212.8
[M+CH3COO]- 466.16061 229.4
[M+Na-2H]- 428.12143 195.9
[M]+ 407.14621 193.4
[M]- 407.14731 193.4
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