CID 50310

Brn 0839067

Structural Information

Molecular Formula
C23H25FN2O2
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)F)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H25FN2O2/c1-17-21(28-22-16-18(24)9-10-20(22)23(17)27)8-5-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3
InChIKey
WQSBPUQZECHTHS-UHFFFAOYSA-N
Compound name
7-fluoro-3-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19728 196.3
[M+Na]+ 403.17922 212.2
[M+NH4]+ 398.22382 203.6
[M+K]+ 419.15316 202.6
[M-H]- 379.18272 202.6
[M+Na-2H]- 401.16467 203.6
[M]+ 380.18945 200.5
[M]- 380.19055 200.5
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.