CID 695511

Cbmicro_032876

Structural Information

Molecular Formula
C12H14N4O2S
SMILES
C1COCCN1CN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H14N4O2S/c19-12-16(9-15-5-7-17-8-6-15)14-11(18-12)10-1-3-13-4-2-10/h1-4H,5-9H2
InChIKey
OIPNGUYKODAHAN-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.08374 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09102 161.0
[M+Na]+ 301.07296 170.1
[M-H]- 277.07646 166.9
[M+NH4]+ 296.11756 171.1
[M+K]+ 317.04690 167.5
[M+H-H2O]+ 261.08100 151.7
[M+HCOO]- 323.08194 172.9
[M+CH3COO]- 337.09759 171.9
[M+Na-2H]- 299.05841 162.4
[M]+ 278.08319 161.6
[M]- 278.08429 161.6
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.