CID 89595

22091-92-5

Structural Information

Molecular Formula
C30H28N2O2
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CC)C)C
InChI
InChI=1S/C30H28N2O2/c1-5-31-19(3)27(22-14-8-11-17-25(22)31)30(24-16-10-7-13-21(24)29(33)34-30)28-20(4)32(6-2)26-18-12-9-15-23(26)28/h7-18H,5-6H2,1-4H3
InChIKey
CONFUNYOPVYVDC-UHFFFAOYSA-N
Compound name
3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2018
Patents

448.2151 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22238 209.9
[M+Na]+ 471.20432 228.1
[M+NH4]+ 466.24892 220.2
[M+K]+ 487.17826 221.6
[M-H]- 447.20782 218.4
[M+Na-2H]- 469.18977 217.5
[M]+ 448.21455 215.6
[M]- 448.21565 215.6
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