CID 9588884

1,4-benzodioxin-2-carboximidic acid, 2,3-dihydro-n-(2-(dimethylamino)ethoxy)-, ethyl ester, monohydrochloride, (e)-

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCO/C(=N/OCCN(C)C)/C1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H22N2O4/c1-4-18-15(16-20-10-9-17(2)3)14-11-19-12-7-5-6-8-13(12)21-14/h5-8,14H,4,9-11H2,1-3H3/b16-15+
InChIKey
LTFWUFCHSMOZMT-FOCLMDBBSA-N
Compound name
ethyl (3E)-N-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.5
[M+Na]+ 317.14718 174.5
[M-H]- 293.15068 177.8
[M+NH4]+ 312.19178 184.7
[M+K]+ 333.12112 176.9
[M+H-H2O]+ 277.15522 162.0
[M+HCOO]- 339.15616 192.2
[M+CH3COO]- 353.17181 211.8
[M+Na-2H]- 315.13263 176.9
[M]+ 294.15741 175.9
[M]- 294.15851 175.9
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.