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]+ 267.14918 161.9
[M+Na]+ 289.13112 169.7
[M-H]- 265.13462 165.5
[M+NH4]+ 284.17572 177.6
[M+K]+ 305.10506 164.1
[M+H-H2O]+ 249.13916 153.0
[M+HCOO]- 311.14010 182.3
[M+CH3COO]- 325.15575 173.2
[M+Na-2H]- 287.11657 167.3
[M]+ 266.14135 163.3
[M]- 266.14245 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.