CID 6481523

(z)-1,3-diphenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-en-1-one

Structural Information

Molecular Formula
C23H16N2O2S
SMILES
C1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CC=C2)\SC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C23H16N2O2S/c26-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)28-23-25-24-22(27-23)19-14-8-3-9-15-19/h1-16H/b20-16-
InChIKey
RKWSMJDASRAMCH-SILNSSARSA-N
Compound name
(Z)-1,3-diphenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.09326 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10054 191.4
[M+Na]+ 407.08248 198.4
[M-H]- 383.08598 202.2
[M+NH4]+ 402.12708 200.2
[M+K]+ 423.05642 192.6
[M+H-H2O]+ 367.09052 181.2
[M+HCOO]- 429.09146 206.8
[M+CH3COO]- 443.10711 200.9
[M+Na-2H]- 405.06793 191.5
[M]+ 384.09271 193.3
[M]- 384.09381 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.