CID 3699727

355429-03-7

Structural Information

Molecular Formula
C27H23NO3
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C27H23NO3/c1-3-19-10-12-21(13-11-19)26(29)17-31-27(30)23-16-25(20-7-5-4-6-8-20)28-24-14-9-18(2)15-22(23)24/h4-16H,3,17H2,1-2H3
InChIKey
FIRJBEKJWXNEIG-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17508 202.3
[M+Na]+ 432.15702 208.7
[M-H]- 408.16052 211.0
[M+NH4]+ 427.20162 211.5
[M+K]+ 448.13096 202.5
[M+H-H2O]+ 392.16506 190.5
[M+HCOO]- 454.16600 220.3
[M+CH3COO]- 468.18165 211.0
[M+Na-2H]- 430.14247 203.5
[M]+ 409.16725 204.8
[M]- 409.16835 204.8
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.