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

2130
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 213.3
[M+Na]+ 471.20432 226.7
[M-H]- 447.20782 226.7
[M+NH4]+ 466.24892 229.4
[M+K]+ 487.17826 219.4
[M+H-H2O]+ 431.21236 204.9
[M+HCOO]- 493.21330 233.0
[M+CH3COO]- 507.22895 224.6
[M+Na-2H]- 469.18977 210.0
[M]+ 448.21455 222.2
[M]- 448.21565 222.2
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

patents stripe