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 191.5
[M+Na]+ 424.08724 201.5
[M-H]- 400.09074 200.3
[M+NH4]+ 419.13184 203.7
[M+K]+ 440.06118 195.2
[M+H-H2O]+ 384.09528 182.9
[M+HCOO]- 446.09622 208.3
[M+CH3COO]- 460.11187 202.0
[M+Na-2H]- 422.07269 190.1
[M]+ 401.09747 199.7
[M]- 401.09857 199.7
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.