CID 626543

50820-91-2

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C18H20N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11,17,21H,3,12H2,1-2H3
InChIKey
BJXLORKMCAZXRI-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.2
[M+Na]+ 319.14169 179.2
[M-H]- 295.14519 174.5
[M+NH4]+ 314.18629 185.2
[M+K]+ 335.11563 174.1
[M+H-H2O]+ 279.14973 161.5
[M+HCOO]- 341.15067 190.5
[M+CH3COO]- 355.16632 181.6
[M+Na-2H]- 317.12714 173.6
[M]+ 296.15192 174.2
[M]- 296.15302 174.2
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.