CID 6478851

(z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(3-isoquinolyl)prop-2-en-1-one

Structural Information

Molecular Formula
C23H16FNO3
SMILES
C1=CC=C2C=NC(=CC2=C1)/C(=C/C(=O)C3=CC=C(O3)CC4=CC=C(C=C4)F)/O
InChI
InChI=1S/C23H16FNO3/c24-18-7-5-15(6-8-18)11-19-9-10-23(28-19)22(27)13-21(26)20-12-16-3-1-2-4-17(16)14-25-20/h1-10,12-14,26H,11H2/b21-13-
InChIKey
NTNNBDFFBUYPJE-BKUYFWCQSA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-isoquinolin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11142 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11870 188.2
[M+Na]+ 396.10064 196.6
[M-H]- 372.10414 196.2
[M+NH4]+ 391.14524 199.0
[M+K]+ 412.07458 190.7
[M+H-H2O]+ 356.10868 178.0
[M+HCOO]- 418.10962 206.7
[M+CH3COO]- 432.12527 198.3
[M+Na-2H]- 394.08609 189.9
[M]+ 373.11087 189.6
[M]- 373.11197 189.6
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.