CID 15955650

Schembl6815132

Structural Information

Molecular Formula
C22H20FN3OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20FN3OS/c1-15(16-7-9-18(23)10-8-16)24-22(28)26-20-13-11-19(12-14-20)25-21(27)17-5-3-2-4-6-17/h2-15H,1H3,(H,25,27)(H2,24,26,28)
InChIKey
IEZAHSYLYAEHSK-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

393.1311 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13838 191.6
[M+Na]+ 416.12032 195.3
[M-H]- 392.12382 199.1
[M+NH4]+ 411.16492 201.6
[M+K]+ 432.09426 188.5
[M+H-H2O]+ 376.12836 180.9
[M+HCOO]- 438.12930 208.9
[M+CH3COO]- 452.14495 226.5
[M+Na-2H]- 414.10577 192.2
[M]+ 393.13055 188.8
[M]- 393.13165 188.8
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