CID 3065787

2h-tetrazole-2-ethanamine, n,n-diethyl-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C13H19N5
SMILES
CCN(CC)CCN1N=C(N=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N5/c1-3-17(4-2)10-11-18-15-13(14-16-18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
BYQZCSZODZRQMT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-phenyltetrazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.16405 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.17133 157.1
[M+Na]+ 268.15327 169.5
[M+NH4]+ 263.19787 163.9
[M+K]+ 284.12721 164.6
[M-H]- 244.15677 159.4
[M+Na-2H]- 266.13872 165.2
[M]+ 245.16350 159.4
[M]- 245.16460 159.4
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.