CID 3794214

763127-10-2

Structural Information

Molecular Formula
C22H20FN3O2S2
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F
InChI
InChI=1S/C22H20FN3O2S2/c1-28-19-10-6-16(7-11-19)24-21(27)14-30-20-12-8-18(9-13-20)26-22(29)25-17-4-2-15(23)3-5-17/h2-13H,14H2,1H3,(H,24,27)(H2,25,26,29)
InChIKey
REIDQYYCAMYGDE-UHFFFAOYSA-N
Compound name
2-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.09808 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.10536 198.2
[M+Na]+ 464.08730 202.7
[M-H]- 440.09080 205.0
[M+NH4]+ 459.13190 206.6
[M+K]+ 480.06124 194.3
[M+H-H2O]+ 424.09534 187.5
[M+HCOO]- 486.09628 210.9
[M+CH3COO]- 500.11193 232.6
[M+Na-2H]- 462.07275 198.9
[M]+ 441.09753 198.5
[M]- 441.09863 198.5
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.