CID 3074486

2h-tetrazole-2-ethanamine, n,n-diethyl-5-(4-methoxyphenyl)-, hydrochloride, hydrate (1:1:1)

Structural Information

Molecular Formula
C14H21N5O
SMILES
CCN(CC)CCN1N=C(N=N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H21N5O/c1-4-18(5-2)10-11-19-16-14(15-17-19)12-6-8-13(20-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKey
BMOAYTBEDGMOSB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 165.4
[M+Na]+ 298.16384 172.9
[M-H]- 274.16734 168.2
[M+NH4]+ 293.20844 178.3
[M+K]+ 314.13778 170.3
[M+H-H2O]+ 258.17188 154.4
[M+HCOO]- 320.17282 186.9
[M+CH3COO]- 334.18847 205.4
[M+Na-2H]- 296.14929 169.1
[M]+ 275.17407 169.9
[M]- 275.17517 169.9
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.