CID 135446843

2-[(3-ethyl-1h-1,2,4-triazol-5-yl)sulfanyl]-n-[(e)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

Structural Information

Molecular Formula
C14H17N5O2S
SMILES
CCC1=NC(=NN1)SCC(=O)N/N=C(\C)/C2=CC=C(C=C2)O
InChI
InChI=1S/C14H17N5O2S/c1-3-12-15-14(19-17-12)22-8-13(21)18-16-9(2)10-4-6-11(20)7-5-10/h4-7,20H,3,8H2,1-2H3,(H,18,21)(H,15,17,19)/b16-9+
InChIKey
ZCICBEZLOQHARV-CXUHLZMHSA-N
Compound name
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1103 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11758 172.9
[M+Na]+ 342.09952 179.3
[M-H]- 318.10302 174.9
[M+NH4]+ 337.14412 184.3
[M+K]+ 358.07346 174.2
[M+H-H2O]+ 302.10756 163.9
[M+HCOO]- 364.10850 188.4
[M+CH3COO]- 378.12415 206.5
[M+Na-2H]- 340.08497 173.0
[M]+ 319.10975 174.1
[M]- 319.11085 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.