CID 36899

1-(2-(diphenylmethoxy)ethyl)-benzimidazole hydrochloride

Structural Information

Molecular Formula
C22H21N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[N+]3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H20N2O/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)25-16-15-24-17-23-20-13-7-8-14-21(20)24/h1-14,17,22H,15-16H2/p+1
InChIKey
APQLNYLMPXTBBU-UHFFFAOYSA-O
Compound name
3-(2-benzhydryloxyethyl)-1H-benzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17265 182.7
[M+Na]+ 352.15459 188.8
[M-H]- 328.15809 189.2
[M+NH4]+ 347.19919 194.5
[M+K]+ 368.12853 176.1
[M+H-H2O]+ 312.16263 174.5
[M+HCOO]- 374.16357 201.9
[M+CH3COO]- 388.17922 199.6
[M+Na-2H]- 350.14004 189.5
[M]+ 329.16482 181.6
[M]- 329.16592 181.6
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.