CID 3047335

3h-1,2,4-triazole-3-thione, 2,4-dihydro-5-(2-furanyl)-4-(2-(4-morpholinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H16N4O2S
SMILES
C1COCCN1CCN2C(=NNC2=S)C3=CC=CO3
InChI
InChI=1S/C12H16N4O2S/c19-12-14-13-11(10-2-1-7-18-10)16(12)4-3-15-5-8-17-9-6-15/h1-2,7H,3-6,8-9H2,(H,14,19)
InChIKey
XFEWWKBKLFWLLN-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10668 160.6
[M+Na]+ 303.08862 170.3
[M-H]- 279.09212 166.1
[M+NH4]+ 298.13322 172.3
[M+K]+ 319.06256 167.6
[M+H-H2O]+ 263.09666 152.8
[M+HCOO]- 325.09760 173.5
[M+CH3COO]- 339.11325 171.9
[M+Na-2H]- 301.07407 159.7
[M]+ 280.09885 162.0
[M]- 280.09995 162.0
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.