CID 3009962

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

Structural Information

Molecular Formula
C17H18N2O
SMILES
CCCOC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H18N2O/c1-2-12-20-16(13-8-4-3-5-9-13)17-18-14-10-6-7-11-15(14)19-17/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKey
YKNVILOTLKXWAM-UHFFFAOYSA-N
Compound name
2-[phenyl(propoxy)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 161.9
[M+Na]+ 289.131118 169.7
[M-H]- 265.134624 165.5
[M+NH4]+ 284.175723 177.6
[M+K]+ 305.105058 164.1
[M+H-H2O]+ 249.139160 153.0
[M+HCOO]- 311.140101 182.3
[M+CH3COO]- 325.155751 173.2
[M+Na-2H]- 287.116566 167.3
[M]+ 266.14135142 163.3
[M]- 266.14244858 163.3
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

No patent data available for this compound.