CID 516457

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

Structural Information

Molecular Formula
C23H25NO
SMILES
CCC1=CC2=C(CC3=C2N(C4=C(C3=O)C=CC(=C4)C(C)C)CC)C=C1
InChI
InChI=1S/C23H25NO/c1-5-15-7-8-17-12-20-22(19(17)11-15)24(6-2)21-13-16(14(3)4)9-10-18(21)23(20)25/h7-11,13-14H,5-6,12H2,1-4H3
InChIKey
ZBWLZBRVXVAMPP-UHFFFAOYSA-N
Compound name
3,5-diethyl-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

331.1936 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 183.5
[M+Na]+ 354.18282 193.8
[M-H]- 330.18632 189.0
[M+NH4]+ 349.22742 201.8
[M+K]+ 370.15676 186.9
[M+H-H2O]+ 314.19086 175.6
[M+HCOO]- 376.19180 201.0
[M+CH3COO]- 390.20745 194.7
[M+Na-2H]- 352.16827 184.5
[M]+ 331.19305 187.8
[M]- 331.19415 187.8
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.