CID 3074488

2h-tetrazole-2-ethanamine, n,n-diethyl-5-(3,4-dimethoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H23N5O2
SMILES
CCN(CC)CCN1N=C(N=N1)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C15H23N5O2/c1-5-19(6-2)9-10-20-17-15(16-18-20)12-7-8-13(21-3)14(11-12)22-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
LTAGBZVDISPAGQ-UHFFFAOYSA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.18518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19246 172.9
[M+Na]+ 328.17440 180.8
[M-H]- 304.17790 176.0
[M+NH4]+ 323.21900 184.8
[M+K]+ 344.14834 178.4
[M+H-H2O]+ 288.18244 161.9
[M+HCOO]- 350.18338 194.3
[M+CH3COO]- 364.19903 211.6
[M+Na-2H]- 326.15985 175.5
[M]+ 305.18463 179.6
[M]- 305.18573 179.6
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.