CID 3074476

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

Structural Information

Molecular Formula
C14H18BrN5
SMILES
C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H18BrN5/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
KEMXQNJCSOQWPU-UHFFFAOYSA-N
Compound name
1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07455 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08183 168.8
[M+Na]+ 358.06377 178.4
[M-H]- 334.06727 173.9
[M+NH4]+ 353.10837 181.2
[M+K]+ 374.03771 166.2
[M+H-H2O]+ 318.07181 164.7
[M+HCOO]- 380.07275 182.6
[M+CH3COO]- 394.08840 179.9
[M+Na-2H]- 356.04922 173.0
[M]+ 335.07400 184.1
[M]- 335.07510 184.1
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.