CID 6885251

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

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CO2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H19N5O3S/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
OJEQSOCGZBQZAP-YBFXNURJSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.128126 189.9
[M+Na]+ 408.110068 199.0
[M-H]- 384.113574 199.5
[M+NH4]+ 403.154673 200.7
[M+K]+ 424.084008 195.5
[M+H-H2O]+ 368.118110 180.3
[M+HCOO]- 430.119051 211.3
[M+CH3COO]- 444.134701 221.1
[M+Na-2H]- 406.095516 190.1
[M]+ 385.12030142 198.9
[M]- 385.12139858 198.9
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.