CID 10473552

[1-(4-bromobenzyl)-2-butyl-4-chloro-1h-imidazol-5-yl]methanol

Structural Information

Molecular Formula
C15H18BrClN2O
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)Br)CO)Cl
InChI
InChI=1S/C15H18BrClN2O/c1-2-3-4-14-18-15(17)13(10-20)19(14)9-11-5-7-12(16)8-6-11/h5-8,20H,2-4,9-10H2,1H3
InChIKey
LOSZLEJFCKVKOK-UHFFFAOYSA-N
Compound name
[3-[(4-bromophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

356.0291 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03638 173.6
[M+Na]+ 379.01832 186.8
[M-H]- 355.02182 179.3
[M+NH4]+ 374.06292 190.6
[M+K]+ 394.99226 172.1
[M+H-H2O]+ 339.02636 172.3
[M+HCOO]- 401.02730 187.8
[M+CH3COO]- 415.04295 206.7
[M+Na-2H]- 377.00377 175.9
[M]+ 356.02855 196.2
[M]- 356.02965 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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