CID 516454

Schembl6865764

Structural Information

Molecular Formula
C21H21NO
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C3=C1C4=CC=CC=C4C3
InChI
InChI=1S/C21H21NO/c1-4-22-19-10-9-14(13(2)3)11-17(19)21(23)18-12-15-7-5-6-8-16(15)20(18)22/h5-11,13H,4,12H2,1-3H3
InChIKey
PHRFZRGHYNOPER-UHFFFAOYSA-N
Compound name
5-ethyl-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.16232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 173.9
[M+Na]+ 326.15154 184.3
[M-H]- 302.15504 179.5
[M+NH4]+ 321.19614 193.1
[M+K]+ 342.12548 177.7
[M+H-H2O]+ 286.15958 166.1
[M+HCOO]- 348.16052 192.3
[M+CH3COO]- 362.17617 185.7
[M+Na-2H]- 324.13699 176.7
[M]+ 303.16177 177.2
[M]- 303.16287 177.2
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