CID 800809

1-ethyl-2-[(4-methylphenoxy)methyl]-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C17H18N2O
SMILES
CCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C
InChI
InChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKey
FBXDQANPSGHGFG-UHFFFAOYSA-N
Compound name
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 162.1
[M+Na]+ 289.13112 172.5
[M-H]- 265.13462 167.8
[M+NH4]+ 284.17572 179.2
[M+K]+ 305.10506 167.3
[M+H-H2O]+ 249.13916 153.2
[M+HCOO]- 311.14010 185.0
[M+CH3COO]- 325.15575 174.9
[M+Na-2H]- 287.11657 167.5
[M]+ 266.14135 166.7
[M]- 266.14245 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.