CID 36341

Broperamole

Structural Information

Molecular Formula
C15H18BrN5O
SMILES
C1CCN(CC1)C(=O)CCN2N=C(N=N2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H18BrN5O/c16-13-6-4-5-12(11-13)15-17-19-21(18-15)10-7-14(22)20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2
InChIKey
PLZMRGRLCWCLFW-UHFFFAOYSA-N
Compound name
3-[5-(3-bromophenyl)tetrazol-2-yl]-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4809
Patents

363.06946 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.076736 174.7
[M+Na]+ 386.058678 183.7
[M-H]- 362.062184 179.9
[M+NH4]+ 381.103283 185.8
[M+K]+ 402.032618 171.7
[M+H-H2O]+ 346.066720 170.5
[M+HCOO]- 408.067661 187.6
[M+CH3COO]- 422.083311 185.2
[M+Na-2H]- 384.044126 177.5
[M]+ 363.06891142 190.3
[M]- 363.07000858 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe