CID 15954915

Schembl6814685

Structural Information

Molecular Formula
C17H18FN3OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C17H18FN3OS/c1-11(13-3-5-14(18)6-4-13)19-17(23)21-16-9-7-15(8-10-16)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)
InChIKey
GQUSQJFKONMTAD-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

331.11545 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12273 176.1
[M+Na]+ 354.10467 180.6
[M-H]- 330.10817 181.0
[M+NH4]+ 349.14927 189.2
[M+K]+ 370.07861 175.3
[M+H-H2O]+ 314.11271 166.7
[M+HCOO]- 376.11365 193.5
[M+CH3COO]- 390.12930 215.7
[M+Na-2H]- 352.09012 176.1
[M]+ 331.11490 174.0
[M]- 331.11600 174.0
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