CID 16729027

Chembl234822

Structural Information

Molecular Formula
C22H20N2O
SMILES
C1=CC=C(C=C1)COC(CN2C=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2O/c1-3-9-18(10-4-1)16-25-22(19-11-5-2-6-12-19)15-24-17-23-20-13-7-8-14-21(20)24/h1-14,17,22H,15-16H2
InChIKey
GWNJTBHGDUZTEE-UHFFFAOYSA-N
Compound name
1-(2-phenyl-2-phenylmethoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.15756 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 178.7
[M+Na]+ 351.14678 185.8
[M-H]- 327.15028 186.3
[M+NH4]+ 346.19138 191.6
[M+K]+ 367.12072 179.2
[M+H-H2O]+ 311.15482 167.7
[M+HCOO]- 373.15576 199.9
[M+CH3COO]- 387.17141 189.1
[M+Na-2H]- 349.13223 183.9
[M]+ 328.15701 180.6
[M]- 328.15811 180.6
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.