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-amino-3-pyridinyl)-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]+ 291.112806 167.3
[M+Na]+ 313.094748 175.3
[M-H]- 289.098254 172.0
[M+NH4]+ 308.139353 181.1
[M+K]+ 329.068688 168.8
[M+H-H2O]+ 273.102790 158.6
[M+HCOO]- 335.103731 187.4
[M+CH3COO]- 349.119381 178.0
[M+Na-2H]- 311.080196 172.2
[M]+ 290.10498142 165.4
[M]- 290.10607858 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

literature stripe

Patent stripe

No patent data available for this compound.