CID 3069501

84806-99-5

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCOC(=O)C1CCN(CC1)C2=CC=CC3=C2N=CN3
InChI
InChI=1S/C15H19N3O2/c1-2-20-15(19)11-6-8-18(9-7-11)13-5-3-4-12-14(13)17-10-16-12/h3-5,10-11H,2,6-9H2,1H3,(H,16,17)
InChIKey
ISGFHNSENRQSKV-UHFFFAOYSA-N
Compound name
ethyl 1-(1H-benzimidazol-4-yl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.0
[M+Na]+ 296.13696 176.1
[M+NH4]+ 291.18156 170.9
[M+K]+ 312.11090 171.6
[M-H]- 272.14046 165.5
[M+Na-2H]- 294.12241 169.3
[M]+ 273.14719 165.9
[M]- 273.14829 165.9
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.