CID 6885316

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

Structural Information

Molecular Formula
C21H23N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC(=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23N5O2S/c1-4-26-20(17-8-10-18(28-3)11-9-17)24-25-21(26)29-14-19(27)23-22-13-16-7-5-6-15(2)12-16/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey
JKQHOXBEDWAHHF-LPYMAVHISA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15726 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16454 198.7
[M+Na]+ 432.14648 206.4
[M-H]- 408.14998 206.5
[M+NH4]+ 427.19108 207.9
[M+K]+ 448.12042 200.1
[M+H-H2O]+ 392.15452 187.7
[M+HCOO]- 454.15546 217.3
[M+CH3COO]- 468.17111 229.1
[M+Na-2H]- 430.13193 198.2
[M]+ 409.15671 204.8
[M]- 409.15781 204.8
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.