CID 516428

6-isobutoxy-2-(4-methoxy-3-methyl-phenyl)-1,3,7-trimethyl-quinolin-4-one

Structural Information

Molecular Formula
C24H29NO3
SMILES
CC1=CC2=C(C=C1OCC(C)C)C(=O)C(=C(N2C)C3=CC(=C(C=C3)OC)C)C
InChI
InChI=1S/C24H29NO3/c1-14(2)13-28-22-12-19-20(11-16(22)4)25(6)23(17(5)24(19)26)18-8-9-21(27-7)15(3)10-18/h8-12,14H,13H2,1-7H3
InChIKey
RCMMDDNTBALSMQ-UHFFFAOYSA-N
Compound name
2-(4-methoxy-3-methylphenyl)-1,3,7-trimethyl-6-(2-methylpropoxy)quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 193.9
[M+Na]+ 402.20397 204.2
[M-H]- 378.20747 201.2
[M+NH4]+ 397.24857 206.7
[M+K]+ 418.17791 199.5
[M+H-H2O]+ 362.21201 184.5
[M+HCOO]- 424.21295 212.6
[M+CH3COO]- 438.22860 228.1
[M+Na-2H]- 400.18942 192.8
[M]+ 379.21420 201.6
[M]- 379.21530 201.6
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.