CID 9574398

Nsc642570

Structural Information

Molecular Formula
C28H24ClN5O5
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)/C(=N/NC(=O)CC(=O)NC4=CC=C(C=C4)Cl)/C
InChI
InChI=1S/C28H24ClN5O5/c1-3-38-23-11-8-21(9-12-23)32-33-22-10-13-25-18(14-22)15-24(28(37)39-25)17(2)31-34-27(36)16-26(35)30-20-6-4-19(29)5-7-20/h4-15H,3,16H2,1-2H3,(H,30,35)(H,34,36)/b31-17+,33-32?
InChIKey
XDIFPRCWMHKNKS-YOJSOPRZSA-N
Compound name
N-(4-chlorophenyl)-N'-[(E)-1-[6-[(4-ethoxyphenyl)diazenyl]-2-oxochromen-3-yl]ethylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.1466 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.15388 234.4
[M+Na]+ 568.13582 239.2
[M-H]- 544.13932 248.7
[M+NH4]+ 563.18042 239.3
[M+K]+ 584.10976 236.9
[M+H-H2O]+ 528.14386 221.8
[M+HCOO]- 590.14480 257.2
[M+CH3COO]- 604.16045 266.6
[M+Na-2H]- 566.12127 237.8
[M]+ 545.14605 242.8
[M]- 545.14715 242.8
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.