CID 383515

Nsc671916

Structural Information

Molecular Formula
C16H10N4O2S4
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)SSSSC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C16H10N4O2S4/c1-3-7-11(8-4-1)13-17-19-15(21-13)23-25-26-24-16-20-18-14(22-16)12-9-5-2-6-10-12/h1-10H
InChIKey
NMPGAWFDTDKLGP-UHFFFAOYSA-N
Compound name
2-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)tetrasulfanyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.96866 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.97594 182.9
[M+Na]+ 440.95788 198.7
[M-H]- 416.96138 192.5
[M+NH4]+ 436.00248 191.5
[M+K]+ 456.93182 190.9
[M+H-H2O]+ 400.96592 179.3
[M+HCOO]- 462.96686 188.1
[M+CH3COO]- 476.98251 193.5
[M+Na-2H]- 438.94333 182.8
[M]+ 417.96811 187.7
[M]- 417.96921 187.7
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.