CID 6885879

2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(5-methyl-2-thienyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C19H21N5O2S2
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(S2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N5O2S2/c1-4-24-18(14-6-8-15(26-3)9-7-14)22-23-19(24)27-12-17(25)21-20-11-16-10-5-13(2)28-16/h5-11H,4,12H2,1-3H3,(H,21,25)/b20-11+
InChIKey
POAPYLOPHFJVSE-RGVLZGJSSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11368 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12096 196.3
[M+Na]+ 438.10290 206.5
[M-H]- 414.10640 205.2
[M+NH4]+ 433.14750 208.1
[M+K]+ 454.07684 200.0
[M+H-H2O]+ 398.11094 187.7
[M+HCOO]- 460.11188 212.7
[M+CH3COO]- 474.12753 226.7
[M+Na-2H]- 436.08835 193.7
[M]+ 415.11313 205.2
[M]- 415.11423 205.2
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.