CID 1734594

332381-73-4

Structural Information

Molecular Formula
C27H19NO3
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C27H19NO3/c1-30-20-15-13-19(14-16-20)25-17-23(22-10-4-5-11-24(22)28-25)27(29)31-26-12-6-8-18-7-2-3-9-21(18)26/h2-17H,1H3
InChIKey
DMBWYOHILGSZIB-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1365 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14378 200.2
[M+Na]+ 428.12572 208.5
[M-H]- 404.12922 210.1
[M+NH4]+ 423.17032 210.2
[M+K]+ 444.09966 201.8
[M+H-H2O]+ 388.13376 187.5
[M+HCOO]- 450.13470 219.5
[M+CH3COO]- 464.15035 209.6
[M+Na-2H]- 426.11117 206.0
[M]+ 405.13595 203.5
[M]- 405.13705 203.5
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.