CID 9588886

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

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCN(CC)CCO/N=C(\C1COC2=CC=CC=C2O1)/OCC
InChI
InChI=1S/C17H26N2O4/c1-4-19(5-2)11-12-22-18-17(20-6-3)16-13-21-14-9-7-8-10-15(14)23-16/h7-10,16H,4-6,11-13H2,1-3H3/b18-17+
InChIKey
URVWWKXVUGCNLE-ISLYRVAYSA-N
Compound name
ethyl (3E)-N-[2-(diethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.7
[M+Na]+ 345.17849 188.2
[M+NH4]+ 340.22309 185.3
[M+K]+ 361.15243 182.6
[M-H]- 321.18199 184.1
[M+Na-2H]- 343.16394 181.7
[M]+ 322.18872 181.3
[M]- 322.18982 181.3
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.