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 177.0
[M+Na]+ 340.17440 183.3
[M-H]- 316.17790 179.5
[M+NH4]+ 335.21900 185.8
[M+K]+ 356.14834 179.0
[M+H-H2O]+ 300.18244 164.5
[M+HCOO]- 362.18338 191.9
[M+CH3COO]- 376.19903 185.6
[M+Na-2H]- 338.15985 178.0
[M]+ 317.18463 176.9
[M]- 317.18573 176.9
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.