CID 375241

Nsc654630

Structural Information

Molecular Formula
C25H18Cl3NO4
SMILES
CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H18Cl3NO4/c1-25(2,24(31)29-23-18(27)4-3-5-19(23)28)33-16-10-11-17-20(30)13-21(32-22(17)12-16)14-6-8-15(26)9-7-14/h3-13H,1-2H3,(H,29,31)
InChIKey
ITFFANOKIFHFKI-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-4-oxochromen-7-yl]oxy-N-(2,6-dichlorophenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.03015 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.03743 214.8
[M+Na]+ 524.01937 225.0
[M-H]- 500.02287 224.6
[M+NH4]+ 519.06397 222.9
[M+K]+ 539.99331 219.4
[M+H-H2O]+ 484.02741 206.5
[M+HCOO]- 546.02835 219.9
[M+CH3COO]- 560.04400 239.4
[M+Na-2H]- 522.00482 216.8
[M]+ 501.02960 223.9
[M]- 501.03070 223.9
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.