CID 516417

5-chloro-1-ethyl-6-isobutoxy-3-methyl-2-(m-tolyl)quinolin-4-one

Structural Information

Molecular Formula
C23H26ClNO2
SMILES
CCN1C2=C(C(=C(C=C2)OCC(C)C)Cl)C(=O)C(=C1C3=CC=CC(=C3)C)C
InChI
InChI=1S/C23H26ClNO2/c1-6-25-18-10-11-19(27-13-14(2)3)21(24)20(18)23(26)16(5)22(25)17-9-7-8-15(4)12-17/h7-12,14H,6,13H2,1-5H3
InChIKey
STLJEGLDIXNODW-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-3-methyl-2-(3-methylphenyl)-6-(2-methylpropoxy)quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1652 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17248 192.6
[M+Na]+ 406.15442 203.5
[M-H]- 382.15792 199.4
[M+NH4]+ 401.19902 206.0
[M+K]+ 422.12836 196.6
[M+H-H2O]+ 366.16246 184.0
[M+HCOO]- 428.16340 207.0
[M+CH3COO]- 442.17905 225.2
[M+Na-2H]- 404.13987 192.2
[M]+ 383.16465 200.5
[M]- 383.16575 200.5
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.