CID 3077986

Brn 4887709

Structural Information

Molecular Formula
C25H20N2O4
SMILES
CCOC(=O)COC1=CC=C(C=C1)C(=O)C2=C(N=C3C(=C2)C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O4/c1-2-30-22(28)16-31-20-12-10-18(11-13-20)24(29)21-15-19-9-6-14-26-25(19)27-23(21)17-7-4-3-5-8-17/h3-15H,2,16H2,1H3
InChIKey
XTIOSMJNZQCYQQ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14958 199.1
[M+Na]+ 435.13152 215.7
[M+NH4]+ 430.17612 205.6
[M+K]+ 451.10546 207.1
[M-H]- 411.13502 204.6
[M+Na-2H]- 433.11697 209.2
[M]+ 412.14175 203.2
[M]- 412.14285 203.2
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.