CID 15955656

Schembl6816331

Structural Information

Molecular Formula
C28H23F2N3OS
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C28H23F2N3OS/c29-21-12-10-20(11-13-21)26(18-19-6-2-1-3-7-19)33-28(35)32-23-16-14-22(15-17-23)31-27(34)24-8-4-5-9-25(24)30/h1-17,26H,18H2,(H,31,34)(H2,32,33,35)
InChIKey
KVPDWPONYGLREP-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[[1-(4-fluorophenyl)-2-phenylethyl]carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

487.15298 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.16026 214.2
[M+Na]+ 510.14220 217.4
[M-H]- 486.14570 222.7
[M+NH4]+ 505.18680 219.8
[M+K]+ 526.11614 208.7
[M+H-H2O]+ 470.15024 201.1
[M+HCOO]- 532.15118 229.6
[M+CH3COO]- 546.16683 220.1
[M+Na-2H]- 508.12765 213.5
[M]+ 487.15243 210.3
[M]- 487.15353 210.3
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.