CID 1739305

Naphthalen-1-yl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

Structural Information

Molecular Formula
C28H21NO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H21NO3/c1-18-10-15-25-23(16-18)24(17-26(29-25)20-11-13-21(31-2)14-12-20)28(30)32-27-9-5-7-19-6-3-4-8-22(19)27/h3-17H,1-2H3
InChIKey
CQWSDWYHIUQVMS-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.15213 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15941 205.4
[M+Na]+ 442.14135 214.2
[M-H]- 418.14485 215.5
[M+NH4]+ 437.18595 215.2
[M+K]+ 458.11529 207.3
[M+H-H2O]+ 402.14939 192.6
[M+HCOO]- 464.15033 224.3
[M+CH3COO]- 478.16598 214.6
[M+Na-2H]- 440.12680 209.9
[M]+ 419.15158 209.4
[M]- 419.15268 209.4
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.