CID 379255

Nsc663670

Structural Information

Molecular Formula
C24H20N2O7
SMILES
COC1(C(C(=O)C2=CC=CC=C2O1)(NC3=CC=C(C=C3)C=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H20N2O7/c1-31-23(25-18-11-7-16(15-27)8-12-18)22(28)20-5-3-4-6-21(20)33-24(23,32-2)17-9-13-19(14-10-17)26(29)30/h3-15,25H,1-2H3
InChIKey
IVWSZDFBKRCIFR-UHFFFAOYSA-N
Compound name
4-[[2,3-dimethoxy-2-(4-nitrophenyl)-4-oxochromen-3-yl]amino]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.12704 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13432 204.1
[M+Na]+ 471.11626 209.6
[M-H]- 447.11976 215.0
[M+NH4]+ 466.16086 214.2
[M+K]+ 487.09020 203.9
[M+H-H2O]+ 431.12430 197.3
[M+HCOO]- 493.12524 224.6
[M+CH3COO]- 507.14089 227.3
[M+Na-2H]- 469.10171 212.6
[M]+ 448.12649 206.5
[M]- 448.12759 206.5
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.