CID 3442192

355429-08-2

Structural Information

Molecular Formula
C29H27NO3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC)C
InChI
InChI=1S/C29H27NO3/c1-4-20-9-13-22(14-10-20)26-17-25(24-8-6-7-19(3)28(24)30-26)29(32)33-18-27(31)23-15-11-21(5-2)12-16-23/h6-17H,4-5,18H2,1-3H3
InChIKey
COBDHTOYMCUOEI-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1991 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20638 211.4
[M+Na]+ 460.18832 217.7
[M-H]- 436.19182 220.0
[M+NH4]+ 455.23292 219.7
[M+K]+ 476.16226 211.3
[M+H-H2O]+ 420.19636 199.3
[M+HCOO]- 482.19730 228.6
[M+CH3COO]- 496.21295 234.3
[M+Na-2H]- 458.17377 210.7
[M]+ 437.19855 214.9
[M]- 437.19965 214.9
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.