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 157.6
[M+Na]+ 268.15327 164.8
[M-H]- 244.15677 160.1
[M+NH4]+ 263.19787 171.5
[M+K]+ 284.12721 161.9
[M+H-H2O]+ 228.16131 146.6
[M+HCOO]- 290.16225 179.2
[M+CH3COO]- 304.17790 199.3
[M+Na-2H]- 266.13872 162.6
[M]+ 245.16350 160.0
[M]- 245.16460 160.0
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

patents stripe