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

18
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 147.5
[M+Na]+ 247.08418 157.1
[M-H]- 223.08768 151.6
[M+NH4]+ 242.12878 165.0
[M+K]+ 263.05812 151.6
[M+H-H2O]+ 207.09222 139.1
[M+HCOO]- 269.09316 170.0
[M+CH3COO]- 283.10881 160.3
[M+Na-2H]- 245.06963 155.8
[M]+ 224.09441 148.5
[M]- 224.09551 148.5
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