CID 3721165

538336-55-9

Structural Information

Molecular Formula
C24H22N4OS
SMILES
CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4OS/c1-18-9-8-14-21(15-18)28-23(20-12-6-3-7-13-20)26-27-24(28)30-17-22(29)25-16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKey
LKPKPPWBMFKCKK-UHFFFAOYSA-N
Compound name
N-benzyl-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.15143 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15871 198.4
[M+Na]+ 437.14065 214.1
[M+NH4]+ 432.18525 205.7
[M+K]+ 453.11459 204.5
[M-H]- 413.14415 206.1
[M+Na-2H]- 435.12610 210.0
[M]+ 414.15088 203.4
[M]- 414.15198 203.4
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.