CID 57098

Brn 5672241

Structural Information

Molecular Formula
C24H26N6O2S
SMILES
CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N6O2S/c1-2-21-25-20-11-7-6-10-19(20)23(26-21)31-16-22-27-30(24(33)32-22)17-28-12-14-29(15-13-28)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKey
XLJPODLMAPHDQO-UHFFFAOYSA-N
Compound name
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1838 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.19108 209.0
[M+Na]+ 485.17302 226.4
[M+NH4]+ 480.21762 214.8
[M+K]+ 501.14696 217.6
[M-H]- 461.17652 215.9
[M+Na-2H]- 483.15847 217.5
[M]+ 462.18325 214.0
[M]- 462.18435 214.0
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.