CID 6176729

331461-70-2

Structural Information

Molecular Formula
C24H19NO7
SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C24H19NO7/c1-30-21-12-8-17(23(15-21)31-2)9-13-22(26)16-6-10-20(11-7-16)32-24(27)18-4-3-5-19(14-18)25(28)29/h3-15H,1-2H3/b13-9+
InChIKey
OYMQCAYQHNLYEC-UKTHLTGXSA-N
Compound name
[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.11615 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12343 203.0
[M+Na]+ 456.10537 207.0
[M-H]- 432.10887 212.4
[M+NH4]+ 451.14997 210.4
[M+K]+ 472.07931 199.9
[M+H-H2O]+ 416.11341 196.4
[M+HCOO]- 478.11435 225.1
[M+CH3COO]- 492.13000 222.0
[M+Na-2H]- 454.09082 204.6
[M]+ 433.11560 206.1
[M]- 433.11670 206.1
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

No patent data available for this compound.