CID 57103

Brn 5677441

Structural Information

Molecular Formula
C26H30N6O2S
SMILES
CCCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=C(C=C5)C
InChI
InChI=1S/C26H30N6O2S/c1-3-6-23-27-22-8-5-4-7-21(22)25(28-23)33-17-24-29-32(26(35)34-24)18-30-13-15-31(16-14-30)20-11-9-19(2)10-12-20/h4-5,7-12H,3,6,13-18H2,1-2H3
InChIKey
FZUJDEIAHOXZOU-UHFFFAOYSA-N
Compound name
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.2151 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.22238 218.7
[M+Na]+ 513.20432 236.0
[M+NH4]+ 508.24892 224.2
[M+K]+ 529.17826 226.9
[M-H]- 489.20782 225.6
[M+Na-2H]- 511.18977 226.4
[M]+ 490.21455 223.8
[M]- 490.21565 223.8
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

No patent data available for this compound.