CID 9571391

Nsc651782

Structural Information

Molecular Formula
C33H24N2O6
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)/N=C\3/C(=C/C(=C/COC(=O)C4=CC=CC=C4)/O3)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C33H24N2O6/c36-31(24-13-5-1-6-14-24)35(27-19-11-4-12-20-27)34-30-29(41-33(38)26-17-9-3-10-18-26)23-28(40-30)21-22-39-32(37)25-15-7-2-8-16-25/h1-21,23H,22H2/b28-21-,34-30-
InChIKey
NJJPNPFXKXYMPU-LNICGBIXSA-N
Compound name
[(2Z)-2-[(5Z)-4-benzoyloxy-5-[benzoyl(phenyl)hydrazinylidene]furan-2-ylidene]ethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.16345 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.17073 231.8
[M+Na]+ 567.15267 232.4
[M-H]- 543.15617 249.0
[M+NH4]+ 562.19727 234.7
[M+K]+ 583.12661 230.5
[M+H-H2O]+ 527.16071 218.7
[M+HCOO]- 589.16165 254.0
[M+CH3COO]- 603.17730 252.6
[M+Na-2H]- 565.13812 230.0
[M]+ 544.16290 233.6
[M]- 544.16400 233.6
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.