CID 6886409

361165-24-4

Structural Information

Molecular Formula
C19H19N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H19N5OS/c1-2-24-18(16-11-7-4-8-12-16)22-23-19(24)26-14-17(25)21-20-13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,21,25)/b20-13+
InChIKey
UCONNGOWJYECBT-DEDYPNTBSA-N
Compound name
N-[(E)-benzylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

365.13104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13832 185.6
[M+Na]+ 388.12026 192.9
[M-H]- 364.12376 193.0
[M+NH4]+ 383.16486 196.2
[M+K]+ 404.09420 186.4
[M+H-H2O]+ 348.12830 174.7
[M+HCOO]- 410.12924 204.8
[M+CH3COO]- 424.14489 195.3
[M+Na-2H]- 386.10571 187.4
[M]+ 365.13049 188.9
[M]- 365.13159 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.