CID 3068982

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

Structural Information

Molecular Formula
C21H20N4O2
SMILES
COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CNC4=CC=NC=C4
InChI
InChI=1S/C21H20N4O2/c1-26-17-6-8-18(9-7-17)27-14-21-24-19-4-2-3-5-20(19)25(21)15-23-16-10-12-22-13-11-16/h2-13H,14-15H2,1H3,(H,22,23)
InChIKey
GDTNXKUXYUKSLS-UHFFFAOYSA-N
Compound name
N-[[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 184.2
[M+Na]+ 383.14785 192.7
[M-H]- 359.15135 191.4
[M+NH4]+ 378.19245 194.7
[M+K]+ 399.12179 186.3
[M+H-H2O]+ 343.15589 172.3
[M+HCOO]- 405.15683 206.6
[M+CH3COO]- 419.17248 194.4
[M+Na-2H]- 381.13330 190.6
[M]+ 360.15808 188.5
[M]- 360.15918 188.5
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.