CID 516429

6-isopropoxy-7-isopropyl-1,3-dimethyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C23H27NO2
SMILES
CC1=C(N(C2=CC(=C(C=C2C1=O)OC(C)C)C(C)C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/c1-14(2)18-12-20-19(13-21(18)26-15(3)4)23(25)16(5)22(24(20)6)17-10-8-7-9-11-17/h7-15H,1-6H3
InChIKey
PPCJYLTWTGOVLT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-phenyl-7-propan-2-yl-6-propan-2-yloxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 185.9
[M+Na]+ 372.19342 194.8
[M-H]- 348.19692 192.7
[M+NH4]+ 367.23802 199.4
[M+K]+ 388.16736 189.9
[M+H-H2O]+ 332.20146 176.7
[M+HCOO]- 394.20240 203.9
[M+CH3COO]- 408.21805 221.4
[M+Na-2H]- 370.17887 185.6
[M]+ 349.20365 190.5
[M]- 349.20475 190.5
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.