CID 3074473

Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2h-tetrazol-2-yl)ethyl)-, hydrate

Structural Information

Molecular Formula
C16H23N5O2
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CCN3CCCCC3)OC
InChI
InChI=1S/C16H23N5O2/c1-22-14-7-6-13(12-15(14)23-2)16-17-19-21(18-16)11-10-20-8-4-3-5-9-20/h6-7,12H,3-5,8-11H2,1-2H3
InChIKey
YHMPMCQDJACYEJ-UHFFFAOYSA-N
Compound name
1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.18518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19246 177.1
[M+Na]+ 340.17440 189.8
[M+NH4]+ 335.21900 182.7
[M+K]+ 356.14834 185.1
[M-H]- 316.17790 179.4
[M+Na-2H]- 338.15985 183.9
[M]+ 317.18463 179.3
[M]- 317.18573 179.3
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.