CID 1739307

2-(4-ethylphenyl)-2-oxoethyl 2-(4-isopropylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C29H27NO3
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C
InChI
InChI=1S/C29H27NO3/c1-4-20-9-11-23(12-10-20)28(31)18-33-29(32)25-17-27(30-26-8-6-5-7-24(25)26)22-15-13-21(14-16-22)19(2)3/h5-17,19H,4,18H2,1-3H3
InChIKey
ZMMKNUUAYMQHOU-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1991 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20638 210.5
[M+Na]+ 460.18832 215.6
[M-H]- 436.19182 218.8
[M+NH4]+ 455.23292 218.4
[M+K]+ 476.16226 209.7
[M+H-H2O]+ 420.19636 198.6
[M+HCOO]- 482.19730 226.8
[M+CH3COO]- 496.21295 233.9
[M+Na-2H]- 458.17377 209.6
[M]+ 437.19855 213.1
[M]- 437.19965 213.1
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.