CID 5279321

2-[1-(benzyloxymethyl)-5-(cyclohexylmethyl)-4-isopropyl-imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C23H33N3O2S
SMILES
CC(C)C1=C(N(C(=N1)SCC(=O)N)COCC2=CC=CC=C2)CC3CCCCC3
InChI
InChI=1S/C23H33N3O2S/c1-17(2)22-20(13-18-9-5-3-6-10-18)26(23(25-22)29-15-21(24)27)16-28-14-19-11-7-4-8-12-19/h4,7-8,11-12,17-18H,3,5-6,9-10,13-16H2,1-2H3,(H2,24,27)
InChIKey
MEMPBSXNALAHPV-UHFFFAOYSA-N
Compound name
2-[5-(cyclohexylmethyl)-1-(phenylmethoxymethyl)-4-propan-2-ylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.22934 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23662 202.3
[M+Na]+ 438.21856 204.8
[M-H]- 414.22206 207.6
[M+NH4]+ 433.26316 211.4
[M+K]+ 454.19250 199.3
[M+H-H2O]+ 398.22660 192.3
[M+HCOO]- 460.22754 213.0
[M+CH3COO]- 474.24319 227.1
[M+Na-2H]- 436.20401 195.8
[M]+ 415.22879 202.4
[M]- 415.22989 202.4
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.