CID 373062

Nsc648894

Structural Information

Molecular Formula
C33H22Cl2O6
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=C(C=C6)Cl)Cl
InChI
InChI=1S/C33H22Cl2O6/c34-22-6-2-20(3-7-22)30-18-28(36)26-12-10-24(16-32(26)40-30)38-14-1-15-39-25-11-13-27-29(37)19-31(41-33(27)17-25)21-4-8-23(35)9-5-21/h2-13,16-19H,1,14-15H2
InChIKey
PAPUHNAWZZHRMA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-7-[3-[2-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropoxy]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.07935 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.08663 243.1
[M+Na]+ 607.06857 254.7
[M-H]- 583.07207 258.0
[M+NH4]+ 602.11317 246.5
[M+K]+ 623.04251 250.3
[M+H-H2O]+ 567.07661 229.4
[M+HCOO]- 629.07755 252.6
[M+CH3COO]- 643.09320 251.0
[M+Na-2H]- 605.05402 245.2
[M]+ 584.07880 256.3
[M]- 584.07990 256.3
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.