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]+ 318.185256 178.6
[M+Na]+ 340.167198 189.5
[M-H]- 316.170704 184.4
[M+NH4]+ 335.211803 197.6
[M+K]+ 356.141138 182.8
[M+H-H2O]+ 300.175240 171.0
[M+HCOO]- 362.176181 196.6
[M+CH3COO]- 376.191831 190.4
[M+Na-2H]- 338.152646 180.3
[M]+ 317.17743142 182.7
[M]- 317.17852858 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.