CID 57106

Brn 5654344

Structural Information

Molecular Formula
C18H21N5O3S
SMILES
CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCOCC4
InChI
InChI=1S/C18H21N5O3S/c1-2-15-19-14-6-4-3-5-13(14)17(20-15)25-11-16-21-23(18(27)26-16)12-22-7-9-24-10-8-22/h3-6H,2,7-12H2,1H3
InChIKey
QBKRJOCDXYTYNZ-UHFFFAOYSA-N
Compound name
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.143776 190.6
[M+Na]+ 410.125718 200.9
[M-H]- 386.129224 196.3
[M+NH4]+ 405.170323 196.1
[M+K]+ 426.099658 196.4
[M+H-H2O]+ 370.133760 180.0
[M+HCOO]- 432.134701 200.4
[M+CH3COO]- 446.150351 199.6
[M+Na-2H]- 408.111166 191.2
[M]+ 387.13595142 195.8
[M]- 387.13704858 195.8
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.