CID 15955583

Schembl6816843

Structural Information

Molecular Formula
C25H26FN3OS
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C25H26FN3OS/c1-25(2,3)18-10-8-17(9-11-18)16-27-24(31)29-20-14-12-19(13-15-20)28-23(30)21-6-4-5-7-22(21)26/h4-15H,16H2,1-3H3,(H,28,30)(H2,27,29,31)
InChIKey
LUUUSDLBUYRASA-UHFFFAOYSA-N
Compound name
N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

435.17807 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18535 205.2
[M+Na]+ 458.16729 209.1
[M-H]- 434.17079 212.7
[M+NH4]+ 453.21189 214.0
[M+K]+ 474.14123 201.8
[M+H-H2O]+ 418.17533 194.4
[M+HCOO]- 480.17627 220.9
[M+CH3COO]- 494.19192 235.4
[M+Na-2H]- 456.15274 205.5
[M]+ 435.17752 203.7
[M]- 435.17862 203.7
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