CID 58085

Brn 0853205

Structural Information

Molecular Formula
C24H27FN2O3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)F)CCCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C24H27FN2O3/c1-17-21(30-23-16-18(25)9-10-19(23)24(17)28)8-5-11-26-12-14-27(15-13-26)20-6-3-4-7-22(20)29-2/h3-4,6-7,9-10,16H,5,8,11-15H2,1-2H3
InChIKey
XCTHWVAUNRITIG-UHFFFAOYSA-N
Compound name
7-fluoro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20784 204.4
[M+Na]+ 433.18978 219.9
[M+NH4]+ 428.23438 210.9
[M+K]+ 449.16372 210.8
[M-H]- 409.19328 210.2
[M+Na-2H]- 431.17523 210.7
[M]+ 410.20001 208.4
[M]- 410.20111 208.4
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.