CID 24211059

769143-05-7

Structural Information

Molecular Formula
C22H25N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C22H25N5OS/c1-4-27-21(19-8-6-5-7-9-19)25-26-22(27)29-15-20(28)24-23-14-17-10-12-18(13-11-17)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,24,28)/b23-14+
InChIKey
JBWFCUSJYVUZMQ-OEAKJJBVSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18526 198.0
[M+Na]+ 430.16720 210.0
[M+NH4]+ 425.21180 203.9
[M+K]+ 446.14114 202.2
[M-H]- 406.17070 203.2
[M+Na-2H]- 428.15265 206.1
[M]+ 407.17743 201.4
[M]- 407.17853 201.4
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.