CID 3070248

Brn 6006375

Structural Information

Molecular Formula
C23H24ClNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H24ClNO3/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
XMKKVRWFDSORCV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-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

397.14447 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15175 196.9
[M+Na]+ 420.13369 205.4
[M-H]- 396.13719 206.2
[M+NH4]+ 415.17829 207.1
[M+K]+ 436.10763 199.7
[M+H-H2O]+ 380.14173 186.2
[M+HCOO]- 442.14267 208.4
[M+CH3COO]- 456.15832 206.3
[M+Na-2H]- 418.11914 197.9
[M]+ 397.14392 199.9
[M]- 397.14502 199.9
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.