CID 475886

1-benzyloxymethyl-5-(3,5-dimethyl-phenylthio)-4-isopropyl-2-methyl-1h-imidazole

Structural Information

Molecular Formula
C23H28N2OS
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2COCC3=CC=CC=C3)C)C(C)C)C
InChI
InChI=1S/C23H28N2OS/c1-16(2)22-23(27-21-12-17(3)11-18(4)13-21)25(19(5)24-22)15-26-14-20-9-7-6-8-10-20/h6-13,16H,14-15H2,1-5H3
InChIKey
VMAJKRYLQOGAGM-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfanyl-2-methyl-1-(phenylmethoxymethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19223 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19951 193.8
[M+Na]+ 403.18145 202.5
[M-H]- 379.18495 201.7
[M+NH4]+ 398.22605 206.1
[M+K]+ 419.15539 196.0
[M+H-H2O]+ 363.18949 184.4
[M+HCOO]- 425.19043 209.0
[M+CH3COO]- 439.20608 221.8
[M+Na-2H]- 401.16690 189.4
[M]+ 380.19168 200.4
[M]- 380.19278 200.4
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.