CID 6403033

2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-n-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C23H17FN4OS
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C23H17FN4OS/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
RJMDDEPBMLUISJ-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.11072 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 196.9
[M+Na]+ 439.09994 204.6
[M-H]- 415.10344 204.0
[M+NH4]+ 434.14454 202.4
[M+K]+ 455.07388 195.2
[M+H-H2O]+ 399.10798 183.6
[M+HCOO]- 461.10892 211.1
[M+CH3COO]- 475.12457 204.7
[M+Na-2H]- 437.08539 199.9
[M]+ 416.11017 196.6
[M]- 416.11127 196.6
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.