CID 478184

2-[[5-(3,5-dimethylphenyl)sulfanyl-4-isopropyl-2-methyl-imidazol-1-yl]methoxy]ethyl 4-oxopentanoate

Structural Information

Molecular Formula
C23H32N2O4S
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2COCCOC(=O)CCC(=O)C)C)C(C)C)C
InChI
InChI=1S/C23H32N2O4S/c1-15(2)22-23(30-20-12-16(3)11-17(4)13-20)25(19(6)24-22)14-28-9-10-29-21(27)8-7-18(5)26/h11-13,15H,7-10,14H2,1-6H3
InChIKey
UKMXIYBDFOYJOJ-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dimethylphenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methoxy]ethyl 4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.20828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21556 205.9
[M+Na]+ 455.19750 212.2
[M-H]- 431.20100 210.2
[M+NH4]+ 450.24210 215.9
[M+K]+ 471.17144 208.3
[M+H-H2O]+ 415.20554 197.4
[M+HCOO]- 477.20648 218.5
[M+CH3COO]- 491.22213 231.5
[M+Na-2H]- 453.18295 198.0
[M]+ 432.20773 216.7
[M]- 432.20883 216.7
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.