CID 3084932

50668-46-7

Structural Information

Molecular Formula
C29H27N3O2
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=O)O3)N=CC=C4)C5=C(N(C6=CC=CC=C65)CC)C)C
InChI
InChI=1S/C29H27N3O2/c1-5-31-18(3)25(20-12-7-9-15-23(20)31)29(22-14-11-17-30-27(22)28(33)34-29)26-19(4)32(6-2)24-16-10-8-13-21(24)26/h7-17H,5-6H2,1-4H3
InChIKey
UXFQRLQOVIFPQK-UHFFFAOYSA-N
Compound name
5,5-bis(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

449.21033 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.21761 209.8
[M+Na]+ 472.19955 228.1
[M+NH4]+ 467.24415 219.5
[M+K]+ 488.17349 222.1
[M-H]- 448.20305 217.6
[M+Na-2H]- 470.18500 217.2
[M]+ 449.20978 215.3
[M]- 449.21088 215.3
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