CID 3009992

5028-48-8

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

COC1=CC2=C(C=C1)N=C(N2)C(C3=CC=CC=C3)O

InChI

InChI=1S/C15H14N2O2/c1-19-11-7-8-12-13(9-11)17-15(16-12)14(18)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H,16,17)

InChIKey

MDAWGPMBALAHRZ-UHFFFAOYSA-N

Compound name

(6-methoxy-1H-benzimidazol-2-yl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 254.10553 Da
Monoisotopic Mass: 2.3
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]+	255.11281	156.1
[M+Na]+	277.09475	165.2
[M-H]-	253.09825	159.3
[M+NH4]+	272.13935	171.8
[M+K]+	293.06869	159.9
[M+H-H2O]+	237.10279	148.1
[M+HCOO]-	299.10373	176.0
[M+CH3COO]-	313.11938	167.9
[M+Na-2H]-	275.08020	161.6
[M]+	254.10498	156.9
[M]-	254.10608	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe