CID 3074484

Piperidine, 1-(3-(5-(4-methoxyphenyl)-2h-tetrazol-2-yl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H23N5O
SMILES
COC1=CC=C(C=C1)C2=NN(N=N2)CCCN3CCCCC3
InChI
InChI=1S/C16H23N5O/c1-22-15-8-6-14(7-9-15)16-17-19-21(18-16)13-5-12-20-10-3-2-4-11-20/h6-9H,2-5,10-13H2,1H3
InChIKey
HIWAKGXQCPXCBL-UHFFFAOYSA-N
Compound name
1-[3-[5-(4-methoxyphenyl)tetrazol-2-yl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.19025 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19753 173.8
[M+Na]+ 324.17947 186.6
[M+NH4]+ 319.22407 179.9
[M+K]+ 340.15341 181.2
[M-H]- 300.18297 176.4
[M+Na-2H]- 322.16492 181.2
[M]+ 301.18970 176.1
[M]- 301.19080 176.1
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.