CID 3076219

130482-62-1

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCN(CC)CCN=C(C1COC2=CC=CC=C2O1)N
InChI
InChI=1S/C15H23N3O2/c1-3-18(4-2)10-9-17-15(16)14-11-19-12-7-5-6-8-13(12)20-14/h5-8,14H,3-4,9-11H2,1-2H3,(H2,16,17)
InChIKey
CFZZITDDAPGVCM-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 169.7
[M+Na]+ 300.168238 173.0
[M-H]- 276.171744 176.4
[M+NH4]+ 295.212843 184.0
[M+K]+ 316.142178 173.9
[M+H-H2O]+ 260.176280 161.1
[M+HCOO]- 322.177221 191.3
[M+CH3COO]- 336.192871 212.7
[M+Na-2H]- 298.153686 175.1
[M]+ 277.17847142 170.6
[M]- 277.17956858 170.6
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.