CID 4118318

882749-28-2

Structural Information

Molecular Formula
C17H17ClFN3O3S
SMILES
COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl)OC
InChI
InChI=1S/C17H17ClFN3O3S/c1-24-14-6-3-10(7-15(14)25-2)8-16(23)21-22-17(26)20-11-4-5-13(19)12(18)9-11/h3-7,9H,8H2,1-2H3,(H,21,23)(H2,20,22,26)
InChIKey
YZZZGMMUYITTDE-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0663 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07358 187.6
[M+Na]+ 420.05552 197.5
[M+NH4]+ 415.10012 193.3
[M+K]+ 436.02946 189.5
[M-H]- 396.05902 190.5
[M+Na-2H]- 418.04097 193.2
[M]+ 397.06575 190.2
[M]- 397.06685 190.2
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.