CID 10183785

Schembl6815521

Structural Information

Molecular Formula
C24H23ClFN3O2S
SMILES
CC(C)COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C24H23ClFN3O2S/c1-15(2)14-31-22-12-11-18(13-20(22)25)29-24(32)28-17-9-7-16(8-10-17)27-23(30)19-5-3-4-6-21(19)26/h3-13,15H,14H2,1-2H3,(H,27,30)(H2,28,29,32)
InChIKey
PPZKIYGBNYLPOA-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(2-methylpropoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

471.11835 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.12563 210.1
[M+Na]+ 494.10757 215.0
[M-H]- 470.11107 217.9
[M+NH4]+ 489.15217 218.4
[M+K]+ 510.08151 207.4
[M+H-H2O]+ 454.11561 200.2
[M+HCOO]- 516.11655 222.5
[M+CH3COO]- 530.13220 240.3
[M+Na-2H]- 492.09302 208.2
[M]+ 471.11780 212.8
[M]- 471.11890 212.8
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