CID 2432669

3-ethoxy-4-[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C18H17NO7
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]
InChI
InChI=1S/C18H17NO7/c1-2-24-17-5-12(8-20)3-4-16(17)25-10-14-7-15(19(21)22)6-13-9-23-11-26-18(13)14/h3-8H,2,9-11H2,1H3
InChIKey
VWTYAALCHFGISP-UHFFFAOYSA-N
Compound name
3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10778 179.5
[M+Na]+ 382.08972 193.8
[M+NH4]+ 377.13432 185.9
[M+K]+ 398.06366 190.5
[M-H]- 358.09322 186.7
[M+Na-2H]- 380.07517 184.3
[M]+ 359.09995 183.5
[M]- 359.10105 183.5
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.