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 198.7
[M+Na]+ 438.13589 207.3
[M-H]- 414.13939 207.1
[M+NH4]+ 433.18049 208.3
[M+K]+ 454.10983 199.3
[M+H-H2O]+ 398.14393 187.5
[M+HCOO]- 460.14487 217.6
[M+CH3COO]- 474.16052 208.0
[M+Na-2H]- 436.12134 202.0
[M]+ 415.14612 203.8
[M]- 415.14722 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.