CID 475884

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

Structural Information

Molecular Formula
C22H26N2OS
SMILES
CCC1=C(N(C(=N1)C)COCC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C22H26N2OS/c1-5-21-22(26-20-12-16(2)11-17(3)13-20)24(18(4)23-21)15-25-14-19-9-7-6-8-10-19/h6-13H,5,14-15H2,1-4H3
InChIKey
VZHJEYJKXDWQAF-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-2-methyl-1-(phenylmethoxymethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.17657 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18385 189.6
[M+Na]+ 389.16579 199.2
[M-H]- 365.16929 197.6
[M+NH4]+ 384.21039 202.6
[M+K]+ 405.13973 192.4
[M+H-H2O]+ 349.17383 180.3
[M+HCOO]- 411.17477 206.2
[M+CH3COO]- 425.19042 218.0
[M+Na-2H]- 387.15124 186.6
[M]+ 366.17602 196.4
[M]- 366.17712 196.4
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.