CID 165667055

2731006-51-0

Structural Information

Molecular Formula
C23H22N4O2
SMILES
C1=CC=C(C=C1)COC(=O)C2=CN=C(C=C2)CN3C4=CC=CC=C4N=C3CCN
InChI
InChI=1S/C23H22N4O2/c24-13-12-22-26-20-8-4-5-9-21(20)27(22)15-19-11-10-18(14-25-19)23(28)29-16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16,24H2
InChIKey
MORBYOHZDWVVJE-UHFFFAOYSA-N
Compound name
benzyl 6-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 194.3
[M+Na]+ 409.16352 209.7
[M+NH4]+ 404.20812 200.9
[M+K]+ 425.13746 202.9
[M-H]- 385.16702 199.7
[M+Na-2H]- 407.14897 203.8
[M]+ 386.17375 198.0
[M]- 386.17485 198.0
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.