CID 15955532

Schembl6815708

Structural Information

Molecular Formula
C22H19FN4O2S
SMILES
CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H19FN4O2S/c1-14(28)24-17-5-4-6-18(13-17)27-22(30)26-16-11-9-15(10-12-16)25-21(29)19-7-2-3-8-20(19)23/h2-13H,1H3,(H,24,28)(H,25,29)(H2,26,27,30)
InChIKey
PAGNWPPWZVKTLS-UHFFFAOYSA-N
Compound name
N-[4-[(3-acetamidophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

422.12128 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12856 197.8
[M+Na]+ 445.11050 201.4
[M-H]- 421.11400 205.5
[M+NH4]+ 440.15510 206.3
[M+K]+ 461.08444 195.0
[M+H-H2O]+ 405.11854 186.7
[M+HCOO]- 467.11948 216.3
[M+CH3COO]- 481.13513 233.9
[M+Na-2H]- 443.09595 198.6
[M]+ 422.12073 195.3
[M]- 422.12183 195.3
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