CID 516456

3-ethyl-7-isopropyl-5-methyl-11h-indeno[1,2-b]quinolin-10-one

Structural Information

Molecular Formula
C22H23NO
SMILES
CCC1=CC2=C(CC3=C2N(C4=C(C3=O)C=CC(=C4)C(C)C)C)C=C1
InChI
InChI=1S/C22H23NO/c1-5-14-6-7-16-11-19-21(18(16)10-14)23(4)20-12-15(13(2)3)8-9-17(20)22(19)24/h6-10,12-13H,5,11H2,1-4H3
InChIKey
XXMMFVIUVAGUGK-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17798 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18526 178.6
[M+Na]+ 340.16720 189.5
[M-H]- 316.17070 184.4
[M+NH4]+ 335.21180 197.6
[M+K]+ 356.14114 182.8
[M+H-H2O]+ 300.17524 171.0
[M+HCOO]- 362.17618 196.6
[M+CH3COO]- 376.19183 190.4
[M+Na-2H]- 338.15265 180.3
[M]+ 317.17743 182.7
[M]- 317.17853 182.7
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.