CID 516409

2-(4-isobutoxy-3-methyl-phenyl)-6-isopropyl-1-methyl-quinolin-4-one

Structural Information

Molecular Formula
C24H29NO2
SMILES
CC1=C(C=CC(=C1)C2=CC(=O)C3=C(N2C)C=CC(=C3)C(C)C)OCC(C)C
InChI
InChI=1S/C24H29NO2/c1-15(2)14-27-24-10-8-19(11-17(24)5)22-13-23(26)20-12-18(16(3)4)7-9-21(20)25(22)6/h7-13,15-16H,14H2,1-6H3
InChIKey
SYKFALRXWVIPKR-UHFFFAOYSA-N
Compound name
1-methyl-2-[3-methyl-4-(2-methylpropoxy)phenyl]-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 190.6
[M+Na]+ 386.20904 199.0
[M-H]- 362.21254 197.2
[M+NH4]+ 381.25364 203.5
[M+K]+ 402.18298 193.9
[M+H-H2O]+ 346.21708 181.2
[M+HCOO]- 408.21802 208.3
[M+CH3COO]- 422.23367 224.3
[M+Na-2H]- 384.19449 189.7
[M]+ 363.21927 195.5
[M]- 363.22037 195.5
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.