CID 15606774

113915-68-7

Structural Information

Molecular Formula
C42H36Cl4N2O4
SMILES
CN(C)C1=CC=C(C=C1)/C(=C\C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)/C=C(/C4=CC=C(C=C4)N(C)C)\C5=CC=C(C=C5)OC)/C6=CC=C(C=C6)OC
InChI
InChI=1S/C42H36Cl4N2O4/c1-47(2)29-15-7-25(8-16-29)33(27-11-19-31(50-5)20-12-27)23-42(36-35(41(49)52-42)37(43)39(45)40(46)38(36)44)24-34(28-13-21-32(51-6)22-14-28)26-9-17-30(18-10-26)48(3)4/h7-24H,1-6H3/b33-23-,34-24+
InChIKey
NYMQRLJHQHVCAD-HUMGCQOQSA-N
Compound name
4,5,6,7-tetrachloro-3-[(Z)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

936
Patents

772.14294 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.15022 281.2
[M+Na]+ 795.13216 298.4
[M+NH4]+ 790.17676 288.1
[M+K]+ 811.10610 285.8
[M-H]- 771.13566 292.0
[M+Na-2H]- 793.11761 289.2
[M]+ 772.14239 288.3
[M]- 772.14349 288.3
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

patents stripe