CID 6887626

361164-89-8

Structural Information

Molecular Formula
C23H21N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H21N5OS/c1-2-28-22(18-10-4-3-5-11-18)26-27-23(28)30-16-21(29)25-24-15-19-13-8-12-17-9-6-7-14-20(17)19/h3-15H,2,16H2,1H3,(H,25,29)/b24-15+
InChIKey
KIDMUDXWTFWYMQ-BUVRLJJBSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14667 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15395 197.3
[M+Na]+ 438.13589 212.4
[M+NH4]+ 433.18049 204.5
[M+K]+ 454.10983 202.8
[M-H]- 414.13939 204.1
[M+Na-2H]- 436.12134 207.7
[M]+ 415.14612 201.9
[M]- 415.14722 201.9
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.