CID 3009961

2-[ethoxy(phenyl)methyl]-1h-benzimidazole

Structural Information

Molecular Formula
C16H16N2O
SMILES
CCOC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H16N2O/c1-2-19-15(12-8-4-3-5-9-12)16-17-13-10-6-7-11-14(13)18-16/h3-11,15H,2H2,1H3,(H,17,18)
InChIKey
ONYLQGPWISNQTJ-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.12627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 157.3
[M+Na]+ 275.115488 165.5
[M-H]- 251.118994 161.1
[M+NH4]+ 270.160093 173.5
[M+K]+ 291.089428 160.2
[M+H-H2O]+ 235.123530 148.6
[M+HCOO]- 297.124471 178.1
[M+CH3COO]- 311.140121 169.0
[M+Na-2H]- 273.100936 163.3
[M]+ 252.12572142 158.4
[M]- 252.12681858 158.4
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