CID 5279318

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

Structural Information

Molecular Formula
C20H29N3O2S
SMILES
CCOCN1C(=C(N=C1SCC(=O)N)C(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C20H29N3O2S/c1-6-25-12-23-17(10-16-8-14(4)7-15(5)9-16)19(13(2)3)22-20(23)26-11-18(21)24/h7-9,13H,6,10-12H2,1-5H3,(H2,21,24)
InChIKey
GUGGJLQNMRFQGL-UHFFFAOYSA-N
Compound name
2-[5-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-4-propan-2-ylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19806 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20534 192.7
[M+Na]+ 398.18728 199.9
[M-H]- 374.19078 196.8
[M+NH4]+ 393.23188 204.8
[M+K]+ 414.16122 194.9
[M+H-H2O]+ 358.19532 184.2
[M+HCOO]- 420.19626 207.0
[M+CH3COO]- 434.21191 223.8
[M+Na-2H]- 396.17273 186.4
[M]+ 375.19751 199.2
[M]- 375.19861 199.2
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.