CID 3805357

539812-48-1

Structural Information

Molecular Formula
C24H28N4O2S
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C24H28N4O2S/c1-6-14-28-22(17-10-12-18(13-11-17)24(2,3)4)26-27-23(28)31-16-21(29)25-19-8-7-9-20(15-19)30-5/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
InChIKey
UFCKIACKAZXZJH-UHFFFAOYSA-N
Compound name
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1933 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20058 208.6
[M+Na]+ 459.18252 220.8
[M+NH4]+ 454.22712 213.7
[M+K]+ 475.15646 213.6
[M-H]- 435.18602 212.2
[M+Na-2H]- 457.16797 215.4
[M]+ 436.19275 211.8
[M]- 436.19385 211.8
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.