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 231.9
[M+Na]+ 564.17412 231.3
[M-H]- 540.17762 244.3
[M+NH4]+ 559.21872 233.7
[M+K]+ 580.14806 225.0
[M+H-H2O]+ 524.18216 224.1
[M+HCOO]- 586.18310 253.6
[M+CH3COO]- 600.19875 246.0
[M+Na-2H]- 562.15957 231.8
[M]+ 541.18435 233.3
[M]- 541.18545 233.3
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.