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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.9
[M+Na]+ 247.08418 164.6
[M+NH4]+ 242.12878 158.0
[M+K]+ 263.05812 157.9
[M-H]- 223.08768 152.8
[M+Na-2H]- 245.06963 158.8
[M]+ 224.09441 152.3
[M]- 224.09551 152.3
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

patents stripe