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]+ 276.181896 165.4
[M+Na]+ 298.163838 172.9
[M-H]- 274.167344 168.2
[M+NH4]+ 293.208443 178.3
[M+K]+ 314.137778 170.3
[M+H-H2O]+ 258.171880 154.4
[M+HCOO]- 320.172821 186.9
[M+CH3COO]- 334.188471 205.4
[M+Na-2H]- 296.149286 169.1
[M]+ 275.17407142 169.9
[M]- 275.17516858 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.