CID 15955681

Schembl6814260

Structural Information

Molecular Formula
C24H23ClFN3O2S
SMILES
CCCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C24H23ClFN3O2S/c1-2-3-14-31-22-13-12-18(15-20(22)25)29-24(32)28-17-10-8-16(9-11-17)27-23(30)19-6-4-5-7-21(19)26/h4-13,15H,2-3,14H2,1H3,(H,27,30)(H2,28,29,32)
InChIKey
FCCZKNCSWYOTBH-UHFFFAOYSA-N
Compound name
N-[4-[(4-butoxy-3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 210.2
[M+Na]+ 494.10757 215.4
[M-H]- 470.11107 217.8
[M+NH4]+ 489.15217 218.5
[M+K]+ 510.08151 207.1
[M+H-H2O]+ 454.11561 199.9
[M+HCOO]- 516.11655 223.5
[M+CH3COO]- 530.13220 239.4
[M+Na-2H]- 492.09302 209.2
[M]+ 471.11780 213.3
[M]- 471.11890 213.3
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