CID 3728973

355429-17-3

Structural Information

Molecular Formula
C32H33NO3
SMILES
CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C32H33NO3/c1-3-4-5-6-8-11-24-15-17-26(18-16-24)31(34)22-36-32(35)28-21-30(25-12-9-7-10-13-25)33-29-19-14-23(2)20-27(28)29/h7,9-10,12-21H,3-6,8,11,22H2,1-2H3
InChIKey
SLXIBQFIVQAHQQ-UHFFFAOYSA-N
Compound name
[2-(4-heptylphenyl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.24603 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.253306 224.8
[M+Na]+ 502.235248 228.7
[M-H]- 478.238754 232.3
[M+NH4]+ 497.279853 230.9
[M+K]+ 518.209188 221.6
[M+H-H2O]+ 462.243290 211.8
[M+HCOO]- 524.244231 240.9
[M+CH3COO]- 538.259881 241.5
[M+Na-2H]- 500.220696 223.2
[M]+ 479.24548142 228.7
[M]- 479.24657858 228.7
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.