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]+ 323.196546 180.0
[M+Na]+ 345.178488 183.1
[M-H]- 321.181994 186.9
[M+NH4]+ 340.223093 193.0
[M+K]+ 361.152428 185.1
[M+H-H2O]+ 305.186530 171.1
[M+HCOO]- 367.187471 201.0
[M+CH3COO]- 381.203121 217.7
[M+Na-2H]- 343.163936 185.3
[M]+ 322.18872142 186.1
[M]- 322.18981858 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.