CID 3589925

355429-75-3

Structural Information

Molecular Formula
C33H35NO3
SMILES
CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C33H35NO3/c1-5-6-7-8-9-25-13-17-26(18-14-25)31-21-29(28-20-23(3)12-19-30(28)34-31)33(36)37-24(4)32(35)27-15-10-22(2)11-16-27/h10-21,24H,5-9H2,1-4H3
InChIKey
VZPDGLNEPPRBDC-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.2617 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.26898 226.9
[M+Na]+ 516.25092 242.9
[M+NH4]+ 511.29552 233.2
[M+K]+ 532.22486 232.7
[M-H]- 492.25442 233.3
[M+Na-2H]- 514.23637 234.9
[M]+ 493.26115 231.2
[M]- 493.26225 231.2
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.