CID 6881824

361165-17-5

Structural Information

Molecular Formula
C21H23N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC)C3=CC=CC=C3
InChI
InChI=1S/C21H23N5O2S/c1-3-26-20(16-10-6-5-7-11-16)24-25-21(26)29-15-19(27)23-22-14-17-12-8-9-13-18(17)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,27)/b22-14+
InChIKey
QWQFEDNZHLWYDI-HYARGMPZSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15726 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16454 197.5
[M+Na]+ 432.14648 209.5
[M+NH4]+ 427.19108 203.1
[M+K]+ 448.12042 201.7
[M-H]- 408.14998 202.4
[M+Na-2H]- 430.13193 205.6
[M]+ 409.15671 200.8
[M]- 409.15781 200.8
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.