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 197.1
[M+Na]+ 423.15737 207.7
[M-H]- 399.16087 201.0
[M+NH4]+ 418.20197 202.3
[M+K]+ 439.13131 201.0
[M+H-H2O]+ 383.16541 185.8
[M+HCOO]- 445.16635 205.7
[M+CH3COO]- 459.18200 205.1
[M+Na-2H]- 421.14282 195.9
[M]+ 400.16760 201.5
[M]- 400.16870 201.5
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.