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 209.8
[M+Na]+ 484.14138 218.3
[M-H]- 460.14488 217.5
[M+NH4]+ 479.18598 217.0
[M+K]+ 500.11532 211.0
[M+H-H2O]+ 444.14942 199.0
[M+HCOO]- 506.15036 227.1
[M+CH3COO]- 520.16601 218.2
[M+Na-2H]- 482.12683 211.5
[M]+ 461.15161 217.0
[M]- 461.15271 217.0
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.