CID 6887761

303203-25-0

Structural Information

Molecular Formula
C23H25N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C(=C/C2=CC=CC=C2)/C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25N5O2S/c1-4-28-22(19-10-12-20(30-3)13-11-19)26-27-23(28)31-16-21(29)25-24-15-17(2)14-18-8-6-5-7-9-18/h5-15H,4,16H2,1-3H3,(H,25,29)/b17-14+,24-15+
InChIKey
MCGOFEXTFQIHEP-RWOQWNJLSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18016 204.7
[M+Na]+ 458.16210 216.0
[M+NH4]+ 453.20670 209.6
[M+K]+ 474.13604 208.6
[M-H]- 434.16560 209.1
[M+Na-2H]- 456.14755 212.1
[M]+ 435.17233 207.8
[M]- 435.17343 207.8
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.