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 163.8
[M+Na]+ 296.13696 170.5
[M-H]- 272.14046 165.7
[M+NH4]+ 291.18156 177.8
[M+K]+ 312.11090 165.9
[M+H-H2O]+ 256.14500 154.4
[M+HCOO]- 318.14594 179.6
[M+CH3COO]- 332.16159 173.8
[M+Na-2H]- 294.12241 166.4
[M]+ 273.14719 161.8
[M]- 273.14829 161.8
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.