CID 509878

Schembl7485687

Structural Information

Molecular Formula
C23H18F2N4OS
SMILES
C1=CC=C(C=C1)C(CNC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)F)F)C4=CC=CC=C4
InChI
InChI=1S/C23H18F2N4OS/c24-18-11-17(12-19(25)13-18)21(30)27-23-29-28-22(31-23)26-14-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,26,28)(H,27,29,30)
InChIKey
DXQNVCKTCDBULZ-UHFFFAOYSA-N
Compound name
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-3,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.11694 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12422 198.1
[M+Na]+ 459.10616 204.6
[M-H]- 435.10966 205.9
[M+NH4]+ 454.15076 205.8
[M+K]+ 475.08010 196.5
[M+H-H2O]+ 419.11420 185.6
[M+HCOO]- 481.11514 213.7
[M+CH3COO]- 495.13079 206.1
[M+Na-2H]- 457.09161 197.6
[M]+ 436.11639 196.9
[M]- 436.11749 196.9
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.