CID 112174

69898-61-9

Structural Information

Molecular Formula
C32H34N2O5
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C
InChI
InChI=1S/C32H34N2O5/c1-6-33(7-2)22-15-17-26(28(19-22)38-9-4)32(25-16-14-21(30(35)36)18-24(25)31(37)39-32)29-20(5)34(8-3)27-13-11-10-12-23(27)29/h10-19H,6-9H2,1-5H3,(H,35,36)
InChIKey
ZVCONXWQMXMVHR-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.24677 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.25405 230.1
[M+Na]+ 549.23599 243.7
[M+NH4]+ 544.28059 237.0
[M+K]+ 565.20993 238.2
[M-H]- 525.23949 236.9
[M+Na-2H]- 547.22144 235.4
[M]+ 526.24622 234.2
[M]- 526.24732 234.2
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.