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]+ 411.207836 203.7
[M+Na]+ 433.189778 211.0
[M-H]- 409.193284 210.2
[M+NH4]+ 428.234383 210.9
[M+K]+ 449.163718 205.5
[M+H-H2O]+ 393.197820 190.3
[M+HCOO]- 455.198761 216.9
[M+CH3COO]- 469.214411 211.6
[M+Na-2H]- 431.175226 203.9
[M]+ 410.20001142 204.0
[M]- 410.20110858 204.0
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.