CID 135433167

147017-72-9

Structural Information

Molecular Formula
C17H25N3O4
SMILES
CCN(CC)CCO/N=C(/C1COC2=CC=CC=C2O1)\NC(=O)C
InChI
InChI=1S/C17H25N3O4/c1-4-20(5-2)10-11-23-19-17(18-13(3)21)16-12-22-14-8-6-7-9-15(14)24-16/h6-9,16H,4-5,10-12H2,1-3H3,(H,18,19,21)
InChIKey
ICNMOZKPVKFQGA-UHFFFAOYSA-N
Compound name
N-[(Z)-N-[2-(diethylamino)ethoxy]-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

335.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 182.5
[M+Na]+ 358.17372 190.4
[M+NH4]+ 353.21832 188.2
[M+K]+ 374.14766 185.9
[M-H]- 334.17722 187.6
[M+Na-2H]- 356.15917 184.6
[M]+ 335.18395 184.6
[M]- 335.18505 184.6
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.