CID 5177865

518350-09-9

Structural Information

Molecular Formula
C30H27N3O7
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)OCC
InChI
InChI=1S/C30H27N3O7/c1-3-38-24-12-8-21(9-13-24)31-29(34)27(30(35)32-22-10-14-25(15-11-22)39-4-2)19-26-16-17-28(40-26)20-6-5-7-23(18-20)33(36)37/h5-19H,3-4H2,1-2H3,(H,31,34)(H,32,35)
InChIKey
PVBBNFIBPPQNGH-UHFFFAOYSA-N
Compound name
N,N'-bis(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.1849 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.19218 230.7
[M+Na]+ 564.17412 241.9
[M+NH4]+ 559.21872 234.0
[M+K]+ 580.14806 240.3
[M-H]- 540.17762 239.5
[M+Na-2H]- 562.15957 237.6
[M]+ 541.18435 234.3
[M]- 541.18545 234.3
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.