CID 5443915

361165-45-9

Structural Information

Molecular Formula
C20H21N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21N5OS/c1-3-25-19(17-12-8-5-9-13-17)23-24-20(25)27-14-18(26)22-21-15(2)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,22,26)/b21-15+
InChIKey
VBIPBVBWEDYOGS-RCCKNPSSSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15395 188.6
[M+Na]+ 402.13589 200.7
[M+NH4]+ 397.18049 194.9
[M+K]+ 418.10983 193.2
[M-H]- 378.13939 193.8
[M+Na-2H]- 400.12134 197.5
[M]+ 379.14612 192.0
[M]- 379.14722 192.0
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.