CID 475891

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

Structural Information

Molecular Formula
C24H30N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(N=C(N2COCC3=CC=CC=C3)C)C(C)C)C
InChI
InChI=1S/C24H30N2O/c1-17(2)24-23(14-22-12-18(3)11-19(4)13-22)26(20(5)25-24)16-27-15-21-9-7-6-8-10-21/h6-13,17H,14-16H2,1-5H3
InChIKey
PQBIECWHWNZUHZ-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethylphenyl)methyl]-2-methyl-1-(phenylmethoxymethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 192.5
[M+Na]+ 385.22502 200.1
[M-H]- 361.22852 199.9
[M+NH4]+ 380.26962 204.6
[M+K]+ 401.19896 194.1
[M+H-H2O]+ 345.23306 182.2
[M+HCOO]- 407.23400 212.1
[M+CH3COO]- 421.24965 221.3
[M+Na-2H]- 383.21047 190.0
[M]+ 362.23525 196.9
[M]- 362.23635 196.9
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.