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 164.4
[M+Na]+ 302.11428 173.0
[M-H]- 278.11778 166.8
[M+NH4]+ 297.15888 177.9
[M+K]+ 318.08822 168.4
[M+H-H2O]+ 262.12232 153.5
[M+HCOO]- 324.12326 181.1
[M+CH3COO]- 338.13891 204.1
[M+Na-2H]- 300.09973 168.0
[M]+ 279.12451 168.9
[M]- 279.12561 168.9
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.