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]+ 416.153946 198.7
[M+Na]+ 438.135888 207.3
[M-H]- 414.139394 207.1
[M+NH4]+ 433.180493 208.3
[M+K]+ 454.109828 199.3
[M+H-H2O]+ 398.143930 187.5
[M+HCOO]- 460.144871 217.6
[M+CH3COO]- 474.160521 208.0
[M+Na-2H]- 436.121336 202.0
[M]+ 415.14612142 203.8
[M]- 415.14721858 203.8
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.