CID 6887341

308096-14-2

Structural Information

Molecular Formula
C22H23N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23N5O2S/c1-3-27-21(18-11-13-19(29-2)14-12-18)25-26-22(27)30-16-20(28)24-23-15-7-10-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,24,28)/b10-7+,23-15+
InChIKey
ATFZWVYSGPKNKK-ZREQCHBWSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.15726 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16454 201.3
[M+Na]+ 444.14648 213.2
[M+NH4]+ 439.19108 206.4
[M+K]+ 460.12042 205.0
[M-H]- 420.14998 205.9
[M+Na-2H]- 442.13193 209.1
[M]+ 421.15671 204.5
[M]- 421.15781 204.5
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.