CID 15955747

N-{4-[3-(3-butylsulfamoyl-phenyl)-thioureido]-phenyl}-2-fluoro-benzamide

Structural Information

Molecular Formula
C24H25FN4O3S2
SMILES
CCCCC1=C(C(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)S(=O)(=O)N
InChI
InChI=1S/C24H25FN4O3S2/c1-2-3-7-16-8-6-11-21(22(16)34(26,31)32)29-24(33)28-18-14-12-17(13-15-18)27-23(30)19-9-4-5-10-20(19)25/h4-6,8-15H,2-3,7H2,1H3,(H,27,30)(H2,26,31,32)(H2,28,29,33)
InChIKey
ILZRSWCEDONVKZ-UHFFFAOYSA-N
Compound name
N-[4-[(3-butyl-2-sulfamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.13522 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.14250 213.9
[M+Na]+ 523.12444 217.4
[M-H]- 499.12794 219.7
[M+NH4]+ 518.16904 219.1
[M+K]+ 539.09838 208.7
[M+H-H2O]+ 483.13248 202.8
[M+HCOO]- 545.13342 225.0
[M+CH3COO]- 559.14907 245.9
[M+Na-2H]- 521.10989 214.5
[M]+ 500.13467 212.8
[M]- 500.13577 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

No patent data available for this compound.