CID 13507453

Brn 5655014

Structural Information

Molecular Formula
C19H24N6O2S
SMILES
CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C
InChI
InChI=1S/C19H24N6O2S/c1-3-16-20-15-7-5-4-6-14(15)18(21-16)26-12-17-22-25(19(28)27-17)13-24-10-8-23(2)9-11-24/h4-7H,3,8-13H2,1-2H3
InChIKey
LWPMHZAZEKAFBQ-UHFFFAOYSA-N
Compound name
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.16815 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17543 195.2
[M+Na]+ 423.15737 210.8
[M+NH4]+ 418.20197 200.8
[M+K]+ 439.13131 203.4
[M-H]- 399.16087 199.5
[M+Na-2H]- 421.14282 201.0
[M]+ 400.16760 199.1
[M]- 400.16870 199.1
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.