CID 6886517

2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C23H27N5O5S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=C(C=C2OC)OC)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H27N5O5S/c1-6-28-22(15-7-9-16(30-2)10-8-15)26-27-23(28)34-14-21(29)25-24-13-18-19(32-4)11-17(31-3)12-20(18)33-5/h7-13H,6,14H2,1-5H3,(H,25,29)/b24-13+
InChIKey
LEDPMXAGYWXUTB-ZMOGYAJESA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.17328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.18056 217.7
[M+Na]+ 508.16250 228.8
[M+NH4]+ 503.20710 221.2
[M+K]+ 524.13644 222.8
[M-H]- 484.16600 221.3
[M+Na-2H]- 506.14795 223.3
[M]+ 485.17273 220.5
[M]- 485.17383 220.5
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.