CID 370977

Nsc644783

Structural Information

Molecular Formula
C25H16Cl2N2O6
SMILES
C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=CC=C4C(=O)N
InChI
InChI=1S/C25H16Cl2N2O6/c26-16-10-9-12(11-17(16)27)20(30)19(22-13-5-1-2-6-14(13)25(34)35-22)21(31)24(33)29-18-8-4-3-7-15(18)23(28)32/h1-11,19,22H,(H2,28,32)(H,29,33)
InChIKey
RYEDXKOHIAQBOI-UHFFFAOYSA-N
Compound name
2-[[4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.03854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.04582 216.1
[M+Na]+ 533.02776 222.1
[M-H]- 509.03126 226.7
[M+NH4]+ 528.07236 223.6
[M+K]+ 549.00170 218.3
[M+H-H2O]+ 493.03580 209.3
[M+HCOO]- 555.03674 225.3
[M+CH3COO]- 569.05239 245.1
[M+Na-2H]- 531.01321 211.7
[M]+ 510.03799 221.6
[M]- 510.03909 221.6
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.