CID 5279312

2-[5-[(3,5-dimethylphenyl)methyl]-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C23H28N4OS
SMILES
CC1=CC(=CC(=C1)CC2=C(N=C(N2CC3=CC=NC=C3)SCC(=O)N)C(C)C)C
InChI
InChI=1S/C23H28N4OS/c1-15(2)22-20(12-19-10-16(3)9-17(4)11-19)27(13-18-5-7-25-8-6-18)23(26-22)29-14-21(24)28/h5-11,15H,12-14H2,1-4H3,(H2,24,28)
InChIKey
BAMBOSGVSPFJAC-UHFFFAOYSA-N
Compound name
2-[5-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.1984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20568 201.2
[M+Na]+ 431.18762 208.8
[M-H]- 407.19112 207.2
[M+NH4]+ 426.23222 210.1
[M+K]+ 447.16156 201.6
[M+H-H2O]+ 391.19566 191.1
[M+HCOO]- 453.19660 214.6
[M+CH3COO]- 467.21225 229.0
[M+Na-2H]- 429.17307 195.7
[M]+ 408.19785 205.3
[M]- 408.19895 205.3
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.