CID 673671

329222-84-6

Structural Information

Molecular Formula
C16H15NO5
SMILES
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO5/c1-11-3-5-16(14(7-11)17(19)20)22-10-13-8-12(9-18)4-6-15(13)21-2/h3-9H,10H2,1-2H3
InChIKey
ANVVHXVNYURAKK-UHFFFAOYSA-N
Compound name
4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

301.09503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 167.6
[M+Na]+ 324.08425 175.2
[M-H]- 300.08775 174.9
[M+NH4]+ 319.12885 181.9
[M+K]+ 340.05819 168.5
[M+H-H2O]+ 284.09229 164.0
[M+HCOO]- 346.09323 193.0
[M+CH3COO]- 360.10888 199.4
[M+Na-2H]- 322.06970 172.9
[M]+ 301.09448 171.2
[M]- 301.09558 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.