CID 135628844

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

Structural Information

Molecular Formula
C24H23N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H23N5O3S/c1-3-29-23(17-8-11-18(32-2)12-9-17)27-28-24(29)33-15-22(31)26-25-14-20-19-7-5-4-6-16(19)10-13-21(20)30/h4-14,30H,3,15H2,1-2H3,(H,26,31)/b25-14+
InChIKey
OOWOCDLXAIMTLP-AFUMVMLFSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.15216 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.15944 210.0
[M+Na]+ 484.14138 224.0
[M+NH4]+ 479.18598 215.5
[M+K]+ 500.11532 216.0
[M-H]- 460.14488 215.5
[M+Na-2H]- 482.12683 218.2
[M]+ 461.15161 213.9
[M]- 461.15271 213.9
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.