CID 4559913

58662-50-3

Structural Information

Molecular Formula
C15H13NO5
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])C=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H13NO5/c1-20-14-8-13(16(18)19)12(9-17)7-15(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
IQYPIZWLKNLVIO-UHFFFAOYSA-N
Compound name
4-methoxy-2-nitro-5-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

287.07938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 163.3
[M+Na]+ 310.06860 170.4
[M-H]- 286.07210 170.3
[M+NH4]+ 305.11320 177.8
[M+K]+ 326.04254 163.8
[M+H-H2O]+ 270.07664 159.6
[M+HCOO]- 332.07758 189.0
[M+CH3COO]- 346.09323 195.2
[M+Na-2H]- 308.05405 169.7
[M]+ 287.07883 166.1
[M]- 287.07993 166.1
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

patents stripe