CID 9890192

Schembl6812040

Structural Information

Molecular Formula
C24H24F2N4OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)N(C)C
InChI
InChI=1S/C24H24F2N4OS/c1-15(16-8-10-17(25)11-9-16)27-24(32)28-18-12-13-21(22(14-18)30(2)3)29-23(31)19-6-4-5-7-20(19)26/h4-15H,1-3H3,(H,29,31)(H2,27,28,32)
InChIKey
YHFABDFGYMFOOD-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

454.16388 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17116 208.0
[M+Na]+ 477.15310 211.5
[M-H]- 453.15660 215.5
[M+NH4]+ 472.19770 216.0
[M+K]+ 493.12704 205.6
[M+H-H2O]+ 437.16114 195.6
[M+HCOO]- 499.16208 224.6
[M+CH3COO]- 513.17773 245.7
[M+Na-2H]- 475.13855 205.5
[M]+ 454.16333 206.2
[M]- 454.16443 206.2
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