CID 626543

50820-91-2

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C18H20N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11,17,21H,3,12H2,1-2H3

InChIKey

BJXLORKMCAZXRI-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 296.15247 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.159746	170.2
[M+Na]+	319.141688	179.2
[M-H]-	295.145194	174.5
[M+NH4]+	314.186293	185.2
[M+K]+	335.115628	174.1
[M+H-H2O]+	279.149730	161.5
[M+HCOO]-	341.150671	190.5
[M+CH3COO]-	355.166321	181.6
[M+Na-2H]-	317.127136	173.6
[M]+	296.15192142	174.2
[M]-	296.15301858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.