CID 5279315

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

Structural Information

Molecular Formula
C24H29N3O2S
SMILES
CCC1=C(N(C(=N1)SCC(=O)N)COCC2=CC=CC=C2)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C24H29N3O2S/c1-4-21-22(13-20-11-17(2)10-18(3)12-20)27(24(26-21)30-15-23(25)28)16-29-14-19-8-6-5-7-9-19/h5-12H,4,13-16H2,1-3H3,(H2,25,28)
InChIKey
LWXQHGIATKAAHR-UHFFFAOYSA-N
Compound name
2-[5-[(3,5-dimethylphenyl)methyl]-4-ethyl-1-(phenylmethoxymethyl)imidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.19806 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20534 205.1
[M+Na]+ 446.18728 212.2
[M-H]- 422.19078 212.1
[M+NH4]+ 441.23188 214.6
[M+K]+ 462.16122 205.2
[M+H-H2O]+ 406.19532 195.0
[M+HCOO]- 468.19626 220.6
[M+CH3COO]- 482.21191 230.5
[M+Na-2H]- 444.17273 200.2
[M]+ 423.19751 210.9
[M]- 423.19861 210.9
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.