CID 19820699

4-(benzyloxy)-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2N=CN3

InChI

InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)9-17-13-8-4-7-12-14(13)16-10-15-12/h1-8,10H,9H2,(H,15,16)

InChIKey

SMRNKUZWECPXHV-UHFFFAOYSA-N

Compound name

4-phenylmethoxy-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 224.09496 Da
Monoisotopic Mass: 3.0
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]+	225.102236	147.5
[M+Na]+	247.084178	157.1
[M-H]-	223.087684	151.6
[M+NH4]+	242.128783	165.0
[M+K]+	263.058118	151.6
[M+H-H2O]+	207.092220	139.1
[M+HCOO]-	269.093161	170.0
[M+CH3COO]-	283.108811	160.3
[M+Na-2H]-	245.069626	155.8
[M]+	224.09441142	148.5
[M]-	224.09550858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe