CID 3074492

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

Structural Information

Molecular Formula
C13H18ClN5
SMILES
CCN(CC)CCN1N=C(N=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN5/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
ANRKRWCYCBSRDO-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12506 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13234 163.3
[M+Na]+ 302.11428 176.9
[M+NH4]+ 297.15888 170.3
[M+K]+ 318.08822 171.2
[M-H]- 278.11778 165.6
[M+Na-2H]- 300.09973 171.1
[M]+ 279.12451 166.1
[M]- 279.12561 166.1
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.