CID 6402918

335215-69-5

Structural Information

Molecular Formula
C23H17ClN4OS
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClN4OS/c24-18-11-13-19(14-12-18)25-20(29)15-30-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)
InChIKey
POZXTCKYNNQOET-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.08115 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.08843 198.9
[M+Na]+ 455.07037 207.0
[M-H]- 431.07387 207.1
[M+NH4]+ 450.11497 204.7
[M+K]+ 471.04431 197.3
[M+H-H2O]+ 415.07841 186.9
[M+HCOO]- 477.07935 209.5
[M+CH3COO]- 491.09500 206.9
[M+Na-2H]- 453.05582 202.1
[M]+ 432.08060 201.8
[M]- 432.08170 201.8
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.