CID 126720627

Chembl3754317

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N4CCCCC4
InChI
InChI=1S/C21H23N3O2/c1-2-26-21(25)16-8-11-18-19(14-16)23-20(22-18)15-6-9-17(10-7-15)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,22,23)
InChIKey
RHCRUCFKSJDMPS-UHFFFAOYSA-N
Compound name
ethyl 2-(4-piperidin-1-ylphenyl)-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

349.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.2
[M+Na]+ 372.16824 199.4
[M+NH4]+ 367.21284 192.3
[M+K]+ 388.14218 193.2
[M-H]- 348.17174 189.5
[M+Na-2H]- 370.15369 192.8
[M]+ 349.17847 188.3
[M]- 349.17957 188.3
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

patents stripe