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]+ 320.196876 181.5
[M+Na]+ 342.178818 183.9
[M-H]- 318.182324 188.4
[M+NH4]+ 337.223423 194.2
[M+K]+ 358.152758 185.2
[M+H-H2O]+ 302.186860 172.5
[M+HCOO]- 364.187801 202.4
[M+CH3COO]- 378.203451 220.3
[M+Na-2H]- 340.164266 185.7
[M]+ 319.18905142 183.9
[M]- 319.19014858 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.