CID 3074490

2h-tetrazole-2-ethanamine, 5-(4-bromophenyl)-n,n-diethyl-, monohydrochloride

Structural Information

Molecular Formula
C13H18BrN5
SMILES
CCN(CC)CCN1N=C(N=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H18BrN5/c1-3-18(4-2)9-10-19-16-13(15-17-19)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey
JMCGNWWWDRGDSW-UHFFFAOYSA-N
Compound name
2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07455 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08183 171.5
[M+Na]+ 346.06377 174.5
[M+NH4]+ 341.10837 174.5
[M+K]+ 362.03771 175.3
[M-H]- 322.06727 172.0
[M+Na-2H]- 344.04922 175.0
[M]+ 323.07400 170.8
[M]- 323.07510 170.8
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.