CID 6474702

(e)-3-(2-amino-3-pyridyl)-1-(3-hydroxy-2-naphthyl)prop-2-en-1-one

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)/C=C/C3=C(N=CC=C3)N)O
InChI
InChI=1S/C18H14N2O2/c19-18-12(6-3-9-20-18)7-8-16(21)15-10-13-4-1-2-5-14(13)11-17(15)22/h1-11,22H,(H2,19,20)/b8-7+
InChIKey
GFYKZPQGZJBRAL-BQYQJAHWSA-N
Compound name
(E)-3-(2-aminopyridin-3-yl)-1-(3-hydroxynaphthalen-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 167.3
[M+Na]+ 313.09475 175.3
[M-H]- 289.09825 172.0
[M+NH4]+ 308.13935 181.1
[M+K]+ 329.06869 168.8
[M+H-H2O]+ 273.10279 158.6
[M+HCOO]- 335.10373 187.4
[M+CH3COO]- 349.11938 178.0
[M+Na-2H]- 311.08020 172.2
[M]+ 290.10498 165.4
[M]- 290.10608 165.4
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.