CID 6864772

2-((4-et-5-ph-4h-1,2,4-triazol-3-yl)thio)n'-(3-ph-2-propenylidene)acetohydrazide

Structural Information

Molecular Formula
C21H21N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C=C\C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H21N5OS/c1-2-26-20(18-13-7-4-8-14-18)24-25-21(26)28-16-19(27)23-22-15-9-12-17-10-5-3-6-11-17/h3-15H,2,16H2,1H3,(H,23,27)/b12-9-,22-15+
InChIKey
NGNMSMMNHTVNPZ-XYLKLUCISA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15395 193.1
[M+Na]+ 414.13589 205.4
[M+NH4]+ 409.18049 199.0
[M+K]+ 430.10983 196.7
[M-H]- 390.13939 198.1
[M+Na-2H]- 412.12134 201.8
[M]+ 391.14612 196.5
[M]- 391.14722 196.5
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.