CID 863231

1-(2-(5-(4-chlorophenyl)-2h-tetrazol-2-yl)ethyl)piperidine

Structural Information

Molecular Formula
C14H18ClN5
SMILES
C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H18ClN5/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19/h4-7H,1-3,8-11H2
InChIKey
CNNSJQHWOZKFLK-UHFFFAOYSA-N
Compound name
1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12506 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13234 168.2
[M+Na]+ 314.11428 175.3
[M-H]- 290.11778 170.0
[M+NH4]+ 309.15888 178.6
[M+K]+ 330.08822 169.0
[M+H-H2O]+ 274.12232 155.5
[M+HCOO]- 336.12326 178.5
[M+CH3COO]- 350.13891 177.1
[M+Na-2H]- 312.09973 170.2
[M]+ 291.12451 166.0
[M]- 291.12561 166.0
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.