CID 5800198

Nsc642571

Structural Information

Molecular Formula
C29H27N5O6
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)/C(=N\NC(=O)CC(=O)NC4=CC(=CC=C4)OC)/C
InChI
InChI=1S/C29H27N5O6/c1-4-39-23-11-8-20(9-12-23)32-33-22-10-13-26-19(14-22)15-25(29(37)40-26)18(2)31-34-28(36)17-27(35)30-21-6-5-7-24(16-21)38-3/h5-16H,4,17H2,1-3H3,(H,30,35)(H,34,36)/b31-18-,33-32?
InChIKey
ZKILCDDOIQBBKU-CLMQBPIESA-N
Compound name
N'-[(Z)-1-[6-[(4-ethoxyphenyl)diazenyl]-2-oxochromen-3-yl]ethylideneamino]-N-(3-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.1961 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.20338 232.0
[M+Na]+ 564.18532 235.1
[M-H]- 540.18882 246.2
[M+NH4]+ 559.22992 235.8
[M+K]+ 580.15926 234.9
[M+H-H2O]+ 524.19336 218.1
[M+HCOO]- 586.19430 258.8
[M+CH3COO]- 600.20995 268.7
[M+Na-2H]- 562.17077 235.8
[M]+ 541.19555 239.0
[M]- 541.19665 239.0
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.