CID 3047320

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

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]+ 307.122326 169.8
[M+Na]+ 329.104268 177.7
[M-H]- 305.107774 172.4
[M+NH4]+ 324.148873 178.9
[M+K]+ 345.078208 172.0
[M+H-H2O]+ 289.112310 160.7
[M+HCOO]- 351.113251 178.9
[M+CH3COO]- 365.128901 178.8
[M+Na-2H]- 327.089716 168.7
[M]+ 306.11450142 167.5
[M]- 306.11559858 167.5
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.