CID 9555836

Nsc641095

Structural Information

Molecular Formula
C26H19Cl2N5O4
SMILES
C/C(=N\NC(=O)CC(=O)NC1=CC=CC=C1Cl)/C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C26H19Cl2N5O4/c1-15(30-33-25(35)14-24(34)29-21-8-4-2-6-19(21)27)18-13-16-12-17(10-11-23(16)37-26(18)36)31-32-22-9-5-3-7-20(22)28/h2-13H,14H2,1H3,(H,29,34)(H,33,35)/b30-15+,32-31?
InChIKey
XEAVSGBISSZLSZ-PRSFZBSTSA-N
Compound name
N-(2-chlorophenyl)-N'-[(E)-1-[6-[(2-chlorophenyl)diazenyl]-2-oxochromen-3-yl]ethylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.0814 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.08868 230.8
[M+Na]+ 558.07062 237.4
[M-H]- 534.07412 244.7
[M+NH4]+ 553.11522 237.1
[M+K]+ 574.04456 233.6
[M+H-H2O]+ 518.07866 219.8
[M+HCOO]- 580.07960 249.2
[M+CH3COO]- 594.09525 261.7
[M+Na-2H]- 556.05607 234.0
[M]+ 535.08085 239.3
[M]- 535.08195 239.3
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.