CID 5279317

2-[5-benzyl-1-(ethoxymethyl)-4-isopropyl-imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CCOCN1C(=C(N=C1SCC(=O)N)C(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C18H25N3O2S/c1-4-23-12-21-15(10-14-8-6-5-7-9-14)17(13(2)3)20-18(21)24-11-16(19)22/h5-9,13H,4,10-12H2,1-3H3,(H2,19,22)
InChIKey
ORJXZZZWWKQNCG-UHFFFAOYSA-N
Compound name
2-[5-benzyl-1-(ethoxymethyl)-4-propan-2-ylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.16675 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 184.2
[M+Na]+ 370.15597 190.6
[M-H]- 346.15947 187.9
[M+NH4]+ 365.20057 196.8
[M+K]+ 386.12991 186.0
[M+H-H2O]+ 330.16401 175.4
[M+HCOO]- 392.16495 199.3
[M+CH3COO]- 406.18060 215.4
[M+Na-2H]- 368.14142 180.1
[M]+ 347.16620 189.2
[M]- 347.16730 189.2
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.