CID 3076225

130482-67-6

Structural Information

Molecular Formula
C17H25N3O3
SMILES
CCN(CC)CCN=C(C1COC2=CC=CC=C2O1)NC(=O)C
InChI
InChI=1S/C17H25N3O3/c1-4-20(5-2)11-10-18-17(19-13(3)21)16-12-22-14-8-6-7-9-15(14)23-16/h6-9,16H,4-5,10-12H2,1-3H3,(H,18,19,21)
InChIKey
VGPFDXXNDCWKIF-UHFFFAOYSA-N
Compound name
N-[N-[2-(diethylamino)ethyl]-C-(2,3-dihydro-1,4-benzodioxin-3-yl)carbonimidoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.19688 181.5
[M+Na]+ 342.17882 183.9
[M-H]- 318.18232 188.4
[M+NH4]+ 337.22342 194.2
[M+K]+ 358.15276 185.2
[M+H-H2O]+ 302.18686 172.5
[M+HCOO]- 364.18780 202.4
[M+CH3COO]- 378.20345 220.3
[M+Na-2H]- 340.16427 185.7
[M]+ 319.18905 183.9
[M]- 319.19015 183.9
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.