CID 5279311

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

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CC(C)C1=C(N(C(=N1)SCC(=O)N)CC2=CC=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H24N4OS/c1-15(2)20-18(12-16-6-4-3-5-7-16)25(13-17-8-10-23-11-9-17)21(24-20)27-14-19(22)26/h3-11,15H,12-14H2,1-2H3,(H2,22,26)
InChIKey
LJIUERIOCAPZTC-UHFFFAOYSA-N
Compound name
2-[5-benzyl-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

380.16708 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 191.8
[M+Na]+ 403.15630 198.7
[M-H]- 379.15980 197.5
[M+NH4]+ 398.20090 201.3
[M+K]+ 419.13024 191.9
[M+H-H2O]+ 363.16434 181.6
[M+HCOO]- 425.16528 206.0
[M+CH3COO]- 439.18093 220.8
[M+Na-2H]- 401.14175 188.8
[M]+ 380.16653 194.4
[M]- 380.16763 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.