CID 116703

70815-13-3

Structural Information

Molecular Formula
C34H34N2O6
SMILES
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)C4=C(C=C(C(=C4)NC5=CC=CC=C5)C)OCC)O
InChI
InChI=1S/C34H34N2O6/c1-5-36(6-2)24-14-16-27(30(37)19-24)34(26-15-13-22(32(38)39)18-25(26)33(40)42-34)28-20-29(21(4)17-31(28)41-7-3)35-23-11-9-8-10-12-23/h8-20,35,37H,5-7H2,1-4H3,(H,38,39)
InChIKey
UQYXUSUNEDUJCX-UHFFFAOYSA-N
Compound name
1-(5-anilino-2-ethoxy-4-methylphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.2417 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.24898 241.3
[M+Na]+ 589.23092 254.4
[M+NH4]+ 584.27552 247.3
[M+K]+ 605.20486 247.1
[M-H]- 565.23442 250.4
[M+Na-2H]- 587.21637 248.8
[M]+ 566.24115 245.9
[M]- 566.24225 245.9
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.