CID 3087823

Brn 4507127

Structural Information

Molecular Formula
C21H14N2O2
SMILES
C1=CC=C(C=C1)C2=C(C=C3C=CC=NC3=N2)C(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H14N2O2/c24-17-10-8-15(9-11-17)20(25)18-13-16-7-4-12-22-21(16)23-19(18)14-5-2-1-3-6-14/h1-13,24H
InChIKey
MXENCJAUKCYLPX-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-(2-phenyl-1,8-naphthyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 177.3
[M+Na]+ 349.09475 185.4
[M-H]- 325.09825 183.9
[M+NH4]+ 344.13935 187.9
[M+K]+ 365.06869 178.3
[M+H-H2O]+ 309.10279 166.2
[M+HCOO]- 371.10373 195.3
[M+CH3COO]- 385.11938 187.2
[M+Na-2H]- 347.08020 183.4
[M]+ 326.10498 176.3
[M]- 326.10608 176.3
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.