CID 9910662

Schembl6815649

Structural Information

Molecular Formula
C24H21FN4OS
SMILES
CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H21FN4OS/c1-15-13-19(11-12-22(15)29-23(30)20-5-3-4-6-21(20)25)28-24(31)27-16(2)18-9-7-17(14-26)8-10-18/h3-13,16H,1-2H3,(H,29,30)(H2,27,28,31)
InChIKey
SKVXGQFZHQYQAK-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-methylphenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

432.142 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14928 215.8
[M+Na]+ 455.13122 222.6
[M-H]- 431.13472 221.6
[M+NH4]+ 450.17582 223.3
[M+K]+ 471.10516 214.6
[M+H-H2O]+ 415.13926 198.9
[M+HCOO]- 477.14020 228.4
[M+CH3COO]- 491.15585 242.4
[M+Na-2H]- 453.11667 212.5
[M]+ 432.14145 208.8
[M]- 432.14255 208.8
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