CID 6478874

Schembl7486979

Structural Information

Molecular Formula
C26H24N4OS
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24N4OS/c31-24(17-16-20-10-4-1-5-11-20)28-26-30-29-25(32-26)27-19-18-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23H,18-19H2,(H,27,29)(H,28,30,31)/b17-16+
InChIKey
OVKHBZMZGGJLIM-WUKNDPDISA-N
Compound name
(E)-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.16708 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.17436 204.0
[M+Na]+ 463.15630 207.7
[M-H]- 439.15980 213.3
[M+NH4]+ 458.20090 211.1
[M+K]+ 479.13024 199.4
[M+H-H2O]+ 423.16434 192.6
[M+HCOO]- 485.16528 221.0
[M+CH3COO]- 499.18093 211.3
[M+Na-2H]- 461.14175 204.7
[M]+ 440.16653 203.8
[M]- 440.16763 203.8
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