CID 509358

Schembl7484453

Structural Information

Molecular Formula
C24H19N5OS
SMILES
C1=CC=C(C=C1)C(CNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4
InChI
InChI=1S/C24H19N5OS/c25-15-17-11-13-20(14-12-17)22(30)27-24-29-28-23(31-24)26-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21H,16H2,(H,26,28)(H,27,29,30)
InChIKey
QOVIEHHDACSIAL-UHFFFAOYSA-N
Compound name
4-cyano-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

425.13104 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13832 209.2
[M+Na]+ 448.12026 216.6
[M-H]- 424.12376 215.8
[M+NH4]+ 443.16486 215.5
[M+K]+ 464.09420 207.3
[M+H-H2O]+ 408.12830 191.3
[M+HCOO]- 470.12924 222.2
[M+CH3COO]- 484.14489 214.9
[M+Na-2H]- 446.10571 208.4
[M]+ 425.13049 203.4
[M]- 425.13159 203.4
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