CID 54702494

2-propenamide, 3,3'-(1,4-phenylene)bis[n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-, disodium salt

Structural Information

Molecular Formula
C28H26Cl2N2O8
SMILES
COC1=CC(=C(C=C1NC(=O)/C=C(/O)\C2=CC=C(C=C2)/C(=C\C(=O)NC3=CC(=C(C=C3OC)OC)Cl)/O)Cl)OC
InChI
InChI=1S/C28H26Cl2N2O8/c1-37-23-13-25(39-3)19(9-17(23)29)31-27(35)11-21(33)15-5-7-16(8-6-15)22(34)12-28(36)32-20-10-18(30)24(38-2)14-26(20)40-4/h5-14,33-34H,1-4H3,(H,31,35)(H,32,36)/b21-11+,22-12+
InChIKey
JPJAAQHVKMVJIF-XHQRYOPUSA-N
Compound name
(E)-3-[4-[(E)-3-(5-chloro-2,4-dimethoxyanilino)-1-hydroxy-3-oxoprop-1-enyl]phenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.1066 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.11388 234.4
[M+Na]+ 611.09582 245.4
[M+NH4]+ 606.14042 236.3
[M+K]+ 627.06976 240.4
[M-H]- 587.09932 237.0
[M+Na-2H]- 609.08127 238.0
[M]+ 588.10605 236.8
[M]- 588.10715 236.8
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.