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]+ 364.227096 190.6
[M+Na]+ 386.209038 199.0
[M-H]- 362.212544 197.2
[M+NH4]+ 381.253643 203.5
[M+K]+ 402.182978 193.9
[M+H-H2O]+ 346.217080 181.2
[M+HCOO]- 408.218021 208.3
[M+CH3COO]- 422.233671 224.3
[M+Na-2H]- 384.194486 189.7
[M]+ 363.21927142 195.5
[M]- 363.22036858 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.