CID 3669468

618441-18-2

Structural Information

Molecular Formula
C24H22N4OS
SMILES
CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4)C
InChI
InChI=1S/C24H22N4OS/c1-17-13-14-21(18(2)15-17)23-26-27-24(28(23)20-11-7-4-8-12-20)30-16-22(29)25-19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKey
UJNMWEVSAZWHMG-UHFFFAOYSA-N
Compound name
2-[[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.15143 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15871 199.2
[M+Na]+ 437.14065 215.2
[M+NH4]+ 432.18525 206.5
[M+K]+ 453.11459 205.9
[M-H]- 413.14415 207.0
[M+Na-2H]- 435.12610 210.6
[M]+ 414.15088 204.3
[M]- 414.15198 204.3
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.