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 183.7
[M+Na]+ 358.17372 186.0
[M-H]- 334.17722 190.6
[M+NH4]+ 353.21832 195.7
[M+K]+ 374.14766 188.0
[M+H-H2O]+ 318.18176 174.5
[M+HCOO]- 380.18270 204.8
[M+CH3COO]- 394.19835 222.5
[M+Na-2H]- 356.15917 188.2
[M]+ 335.18395 187.6
[M]- 335.18505 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.