CID 3342110

355826-58-3

Structural Information

Molecular Formula
C28H25NO4
SMILES
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C(C=CC=C23)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H25NO4/c1-17-8-10-21(11-9-17)27(30)19(3)33-28(31)24-16-25(20-12-14-22(32-4)15-13-20)29-26-18(2)6-5-7-23(24)26/h5-16,19H,1-4H3
InChIKey
ILEGMPFJEPEIOD-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.17834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18562 208.9
[M+Na]+ 462.16756 215.1
[M-H]- 438.17106 217.9
[M+NH4]+ 457.21216 216.9
[M+K]+ 478.14150 210.4
[M+H-H2O]+ 422.17560 197.1
[M+HCOO]- 484.17654 225.6
[M+CH3COO]- 498.19219 234.5
[M+Na-2H]- 460.15301 208.0
[M]+ 439.17779 213.0
[M]- 439.17889 213.0
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.