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]+ 336.191776 183.7
[M+Na]+ 358.173718 186.0
[M-H]- 334.177224 190.6
[M+NH4]+ 353.218323 195.7
[M+K]+ 374.147658 188.0
[M+H-H2O]+ 318.181760 174.5
[M+HCOO]- 380.182701 204.8
[M+CH3COO]- 394.198351 222.5
[M+Na-2H]- 356.159166 188.2
[M]+ 335.18395142 187.6
[M]- 335.18504858 187.6
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.