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]+ 278.16115 164.0
[M+Na]+ 300.14309 172.8
[M-H]- 276.14659 167.5
[M+NH4]+ 295.18769 177.1
[M+K]+ 316.11703 170.9
[M+H-H2O]+ 260.15113 153.5
[M+HCOO]- 322.15207 186.1
[M+CH3COO]- 336.16772 205.7
[M+Na-2H]- 298.12854 167.6
[M]+ 277.15332 170.0
[M]- 277.15442 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.