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 180.0
[M+Na]+ 345.17849 183.1
[M-H]- 321.18199 186.9
[M+NH4]+ 340.22309 193.0
[M+K]+ 361.15243 185.1
[M+H-H2O]+ 305.18653 171.1
[M+HCOO]- 367.18747 201.0
[M+CH3COO]- 381.20312 217.7
[M+Na-2H]- 343.16394 185.3
[M]+ 322.18872 186.1
[M]- 322.18982 186.1
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.