CID 3070243

Brn 6006374

Structural Information

Molecular Formula
C23H24FNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FNO3/c1-15-21(26)18-10-11-20(27-2)19(14-25-12-4-3-5-13-25)23(18)28-22(15)16-6-8-17(24)9-7-16/h6-11H,3-5,12-14H2,1-2H3
InChIKey
DCJJYIMYIJXFPT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18128 193.8
[M+Na]+ 404.16322 201.6
[M-H]- 380.16672 202.1
[M+NH4]+ 399.20782 203.7
[M+K]+ 420.13716 196.8
[M+H-H2O]+ 364.17126 181.7
[M+HCOO]- 426.17220 208.8
[M+CH3COO]- 440.18785 203.1
[M+Na-2H]- 402.14867 194.7
[M]+ 381.17345 193.4
[M]- 381.17455 193.4
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.