CID 57102

Brn 5673592

Structural Information

Molecular Formula
C25H28N6O2S
SMILES
CCCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H28N6O2S/c1-2-8-22-26-21-12-7-6-11-20(21)24(27-22)32-17-23-28-31(25(34)33-23)18-29-13-15-30(16-14-29)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3
InChIKey
XSNATBMYNDMDCW-UHFFFAOYSA-N
Compound name
3-[(4-phenylpiperazin-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

476.19943 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20671 213.1
[M+Na]+ 499.18865 230.3
[M+NH4]+ 494.23325 218.8
[M+K]+ 515.16259 221.3
[M-H]- 475.19215 220.0
[M+Na-2H]- 497.17410 221.5
[M]+ 476.19888 218.1
[M]- 476.19998 218.1
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.