CID 6885850

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

Structural Information

Molecular Formula
C18H19N5O2S2
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CS2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H19N5O2S2/c1-3-23-17(13-6-8-14(25-2)9-7-13)21-22-18(23)27-12-16(24)20-19-11-15-5-4-10-26-15/h4-11H,3,12H2,1-2H3,(H,20,24)/b19-11+
InChIKey
MKLPSZPGPVGZBP-YBFXNURJSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09802 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10530 190.8
[M+Na]+ 424.08724 201.7
[M+NH4]+ 419.13184 196.9
[M+K]+ 440.06118 194.7
[M-H]- 400.09074 195.3
[M+Na-2H]- 422.07269 197.8
[M]+ 401.09747 194.3
[M]- 401.09857 194.3
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.