CID 3068986

Benzimidazole, 2-((p-methoxyphenoxy)methyl)-1-((pyrrolidinyl)methyl)-

Structural Information

Molecular Formula
C20H23N3O2
SMILES
COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CN4CCCC4
InChI
InChI=1S/C20H23N3O2/c1-24-16-8-10-17(11-9-16)25-14-20-21-18-6-2-3-7-19(18)23(20)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3
InChIKey
IRAMDIDDFYPUNS-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenoxy)methyl]-1-(pyrrolidin-1-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 179.8
[M+Na]+ 360.16824 187.5
[M-H]- 336.17174 186.8
[M+NH4]+ 355.21284 193.5
[M+K]+ 376.14218 182.3
[M+H-H2O]+ 320.17628 169.1
[M+HCOO]- 382.17722 199.7
[M+CH3COO]- 396.19287 190.3
[M+Na-2H]- 358.15369 180.6
[M]+ 337.17847 182.6
[M]- 337.17957 182.6
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.