CID 3078189

120260-40-4

Structural Information

Molecular Formula
C15H18BrN3O
SMILES
CN1C=NC2=C1CCN(C2)CC(C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C15H18BrN3O/c1-18-10-17-13-8-19(7-6-14(13)18)9-15(20)11-2-4-12(16)5-3-11/h2-5,10,15,20H,6-9H2,1H3
InChIKey
UAWKLLKSUHIOJO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07060 172.3
[M+Na]+ 358.05254 182.5
[M-H]- 334.05604 177.1
[M+NH4]+ 353.09714 188.1
[M+K]+ 374.02648 170.3
[M+H-H2O]+ 318.06058 170.3
[M+HCOO]- 380.06152 185.9
[M+CH3COO]- 394.07717 183.9
[M+Na-2H]- 356.03799 175.2
[M]+ 335.06277 189.0
[M]- 335.06387 189.0
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.