CID 516459

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

Structural Information

Molecular Formula
C22H23NO2
SMILES
CC(C)CC1=CC2=C(C=C1)C(=O)C3=C(N2C)C4=C(C3)C(=CC=C4)OC
InChI
InChI=1S/C22H23NO2/c1-13(2)10-14-8-9-16-19(11-14)23(3)21-15-6-5-7-20(25-4)17(15)12-18(21)22(16)24/h5-9,11,13H,10,12H2,1-4H3
InChIKey
RYRHCXCZOVQRGS-UHFFFAOYSA-N
Compound name
1-methoxy-5-methyl-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

333.17288 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 182.0
[M+Na]+ 356.16210 192.6
[M-H]- 332.16560 187.7
[M+NH4]+ 351.20670 200.1
[M+K]+ 372.13604 186.6
[M+H-H2O]+ 316.17014 174.2
[M+HCOO]- 378.17108 200.1
[M+CH3COO]- 392.18673 193.5
[M+Na-2H]- 354.14755 183.7
[M]+ 333.17233 187.4
[M]- 333.17343 187.4
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.