CID 5271516

(e)-3-(2-amino-3-pyridyl)-1-(9h-fluoren-3-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C21H16N2O
SMILES
C1C2=C(C=C(C=C2)C(=O)/C=C/C3=C(N=CC=C3)N)C4=CC=CC=C41
InChI
InChI=1S/C21H16N2O/c22-21-14(5-3-11-23-21)9-10-20(24)17-8-7-16-12-15-4-1-2-6-18(15)19(16)13-17/h1-11,13H,12H2,(H2,22,23)/b10-9+
InChIKey
CXSJCJVJCSTIID-MDZDMXLPSA-N
Compound name
(E)-3-(2-aminopyridin-3-yl)-1-(9H-fluoren-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12625 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 174.3
[M+Na]+ 335.11547 182.6
[M-H]- 311.11897 181.2
[M+NH4]+ 330.16007 190.6
[M+K]+ 351.08941 175.2
[M+H-H2O]+ 295.12351 165.5
[M+HCOO]- 357.12445 195.2
[M+CH3COO]- 371.14010 185.3
[M+Na-2H]- 333.10092 178.0
[M]+ 312.12570 173.3
[M]- 312.12680 173.3
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.