CID 15955669

Schembl6814453

Structural Information

Molecular Formula
C24H23F2N3OS
SMILES
CC(C)C(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H23F2N3OS/c1-15(2)22(16-7-9-17(25)10-8-16)29-24(31)28-19-13-11-18(12-14-19)27-23(30)20-5-3-4-6-21(20)26/h3-15,22H,1-2H3,(H,27,30)(H2,28,29,31)
InChIKey
SWFCNUAHEKPQIS-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

439.15298 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16026 203.5
[M+Na]+ 462.14220 206.7
[M-H]- 438.14570 209.5
[M+NH4]+ 457.18680 211.6
[M+K]+ 478.11614 199.8
[M+H-H2O]+ 422.15024 191.7
[M+HCOO]- 484.15118 217.8
[M+CH3COO]- 498.16683 237.1
[M+Na-2H]- 460.12765 200.7
[M]+ 439.15243 200.2
[M]- 439.15353 200.2
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

patents stripe