CID 509334

Schembl7481409

Structural Information

Molecular Formula
C23H18Cl2N4OS
SMILES
C1=CC=C(C=C1)C(CNC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H18Cl2N4OS/c24-18-12-7-13-19(25)20(18)21(30)27-23-29-28-22(31-23)26-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,26,28)(H,27,29,30)
InChIKey
NNNRXJWSXZKDNU-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

468.05783 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.06511 205.2
[M+Na]+ 491.04705 212.4
[M-H]- 467.05055 214.8
[M+NH4]+ 486.09165 213.2
[M+K]+ 507.02099 203.6
[M+H-H2O]+ 451.05509 195.3
[M+HCOO]- 513.05603 213.3
[M+CH3COO]- 527.07168 213.1
[M+Na-2H]- 489.03250 204.6
[M]+ 468.05728 209.6
[M]- 468.05838 209.6
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