CID 15955453

Schembl6811195

Structural Information

Molecular Formula
C28H23F2N3OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4
InChI
InChI=1S/C28H23F2N3OS/c1-18(19-11-13-21(29)14-12-19)31-28(35)32-22-15-16-26(24(17-22)20-7-3-2-4-8-20)33-27(34)23-9-5-6-10-25(23)30/h2-18H,1H3,(H,33,34)(H2,31,32,35)
InChIKey
IQCJFHBKUFEGQB-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-phenylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

487.15298 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.16026 215.4
[M+Na]+ 510.14220 219.3
[M-H]- 486.14570 224.3
[M+NH4]+ 505.18680 221.2
[M+K]+ 526.11614 210.8
[M+H-H2O]+ 470.15024 202.3
[M+HCOO]- 532.15118 230.6
[M+CH3COO]- 546.16683 221.5
[M+Na-2H]- 508.12765 213.8
[M]+ 487.15243 211.9
[M]- 487.15353 211.9
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.