CID 516460

5-ethyl-7-isobutyl-1-methoxy-11h-indeno[1,2-b]quinolin-10-one

Structural Information

Molecular Formula
C23H25NO2
SMILES
CCN1C2=C(C=CC(=C2)CC(C)C)C(=O)C3=C1C4=C(C3)C(=CC=C4)OC
InChI
InChI=1S/C23H25NO2/c1-5-24-20-12-15(11-14(2)3)9-10-17(20)23(25)19-13-18-16(22(19)24)7-6-8-21(18)26-4/h6-10,12,14H,5,11,13H2,1-4H3
InChIKey
APRQWNMVKSSMEP-UHFFFAOYSA-N
Compound name
5-ethyl-1-methoxy-7-(2-methylpropyl)-11H-indeno[1,2-b]quinolin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 186.8
[M+Na]+ 370.17776 197.0
[M-H]- 346.18126 192.3
[M+NH4]+ 365.22236 204.3
[M+K]+ 386.15170 190.7
[M+H-H2O]+ 330.18580 178.8
[M+HCOO]- 392.18674 204.5
[M+CH3COO]- 406.20239 197.8
[M+Na-2H]- 368.16321 188.0
[M]+ 347.18799 192.5
[M]- 347.18909 192.5
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.