CID 9588887

N-(2-(dimethylamino)ethoxy)-2,3-dihydro-1,4-benzodioxin-2-carboximidamide monohydrochloride

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CN(C)CCO/N=C(/C1COC2=CC=CC=C2O1)\N
InChI
InChI=1S/C13H19N3O3/c1-16(2)7-8-18-15-13(14)12-9-17-10-5-3-4-6-11(10)19-12/h3-6,12H,7-9H2,1-2H3,(H2,14,15)
InChIKey
QCOUMMBCVRRSMN-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 162.8
[M+Na]+ 288.13186 166.8
[M-H]- 264.13536 169.8
[M+NH4]+ 283.17646 177.5
[M+K]+ 304.10580 168.7
[M+H-H2O]+ 248.13990 154.3
[M+HCOO]- 310.14084 185.2
[M+CH3COO]- 324.15649 208.9
[M+Na-2H]- 286.11731 169.4
[M]+ 265.14209 164.4
[M]- 265.14319 164.4
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.