CID 5279319

2-[1-(benzyloxymethyl)-5-(3,5-dimethylbenzyl)-4-isopropyl-1h-imidazol-2-ylthio] acetamide

Structural Information

Molecular Formula
C25H31N3O2S
SMILES
CC1=CC(=CC(=C1)CC2=C(N=C(N2COCC3=CC=CC=C3)SCC(=O)N)C(C)C)C
InChI
InChI=1S/C25H31N3O2S/c1-17(2)24-22(13-21-11-18(3)10-19(4)12-21)28(25(27-24)31-15-23(26)29)16-30-14-20-8-6-5-7-9-20/h5-12,17H,13-16H2,1-4H3,(H2,26,29)
InChIKey
JLSPHXWICOZTMI-UHFFFAOYSA-N
Compound name
2-[5-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)-4-propan-2-ylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.21368 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.22096 209.3
[M+Na]+ 460.20290 215.5
[M-H]- 436.20640 216.2
[M+NH4]+ 455.24750 218.2
[M+K]+ 476.17684 209.0
[M+H-H2O]+ 420.21094 199.3
[M+HCOO]- 482.21188 223.4
[M+CH3COO]- 496.22753 234.2
[M+Na-2H]- 458.18835 203.0
[M]+ 437.21313 214.9
[M]- 437.21423 214.9
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.