CID 57107

Brn 5649262

Structural Information

Molecular Formula
C19H23N5O2S
SMILES
CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCCCC4
InChI
InChI=1S/C19H23N5O2S/c1-2-16-20-15-9-5-4-8-14(15)18(21-16)25-12-17-22-24(19(27)26-17)13-23-10-6-3-7-11-23/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKey
UTVDUYWAOXAQHI-UHFFFAOYSA-N
Compound name
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15726 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16454 190.1
[M+Na]+ 408.14648 205.5
[M+NH4]+ 403.19108 196.5
[M+K]+ 424.12042 197.7
[M-H]- 384.14998 195.1
[M+Na-2H]- 406.13193 196.7
[M]+ 385.15671 194.2
[M]- 385.15781 194.2
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.