CID 3074496

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

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CN(C)CCN1N=C(N=N1)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C13H19N5O2/c1-17(2)7-8-18-15-13(14-16-18)10-5-6-11(19-3)12(9-10)20-4/h5-6,9H,7-8H2,1-4H3
InChIKey
CCXGPIQMFOZBQV-UHFFFAOYSA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15387 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.161146 164.0
[M+Na]+ 300.143088 172.8
[M-H]- 276.146594 167.5
[M+NH4]+ 295.187693 177.1
[M+K]+ 316.117028 170.9
[M+H-H2O]+ 260.151130 153.5
[M+HCOO]- 322.152071 186.1
[M+CH3COO]- 336.167721 205.7
[M+Na-2H]- 298.128536 167.6
[M]+ 277.15332142 170.0
[M]- 277.15441858 170.0
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

No patent data available for this compound.