CID 3047320

2,4-dihydro-5-(2-hydroxyphenyl)-4-(2-(4-morpholinyl)ethyl)-3h-1,2,4-triazole-3-thione hcl

Structural Information

Molecular Formula
C14H18N4O2S
SMILES
C1COCCN1CCN2C(=NNC2=S)C3=CC=CC=C3O
InChI
InChI=1S/C14H18N4O2S/c19-12-4-2-1-3-11(12)13-15-16-14(21)18(13)6-5-17-7-9-20-10-8-17/h1-4,19H,5-10H2,(H,16,21)
InChIKey
RNZJQXWBDDVRRQ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-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

306.11505 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12233 169.9
[M+Na]+ 329.10427 182.2
[M+NH4]+ 324.14887 176.0
[M+K]+ 345.07821 176.4
[M-H]- 305.10777 173.4
[M+Na-2H]- 327.08972 175.0
[M]+ 306.11450 172.9
[M]- 306.11560 172.9
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.