CID 15955446

2-fluoro-n-(4-{3-[1-(4-fluoro-phenyl)-ethyl]-thioureido}-3-methoxy-5-methyl-phenyl)-benzamide

Structural Information

Molecular Formula
C24H23F2N3O2S
SMILES
CC1=CC(=CC(=C1NC(=S)NC(C)C2=CC=C(C=C2)F)OC)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H23F2N3O2S/c1-14-12-18(28-23(30)19-6-4-5-7-20(19)26)13-21(31-3)22(14)29-24(32)27-15(2)16-8-10-17(25)11-9-16/h4-13,15H,1-3H3,(H,28,30)(H2,27,29,32)
InChIKey
OZVCWPZPFYPZFS-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-3-methoxy-5-methylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.14792 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.15520 207.9
[M+Na]+ 478.13714 212.8
[M-H]- 454.14064 214.5
[M+NH4]+ 473.18174 215.9
[M+K]+ 494.11108 206.2
[M+H-H2O]+ 438.14518 195.9
[M+HCOO]- 500.14612 223.3
[M+CH3COO]- 514.16177 240.9
[M+Na-2H]- 476.12259 204.8
[M]+ 455.14737 207.2
[M]- 455.14847 207.2
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

No patent data available for this compound.