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 191.3
[M+Na]+ 408.14648 201.0
[M-H]- 384.14998 196.1
[M+NH4]+ 403.19108 198.2
[M+K]+ 424.12042 194.8
[M+H-H2O]+ 368.15452 180.3
[M+HCOO]- 430.15546 201.4
[M+CH3COO]- 444.17111 199.9
[M+Na-2H]- 406.13193 191.2
[M]+ 385.15671 195.0
[M]- 385.15781 195.0
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.