CID 99944

2,3-dihydro-6-fluoro-2-((4-(4-methoxyphenyl)-1-piperazinyl)methylene)-1h-inden-1-one

Structural Information

Molecular Formula
C21H21FN2O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C=C3CC4=C(C3=O)C=C(C=C4)F
InChI
InChI=1S/C21H21FN2O2/c1-26-19-6-4-18(5-7-19)24-10-8-23(9-11-24)14-16-12-15-2-3-17(22)13-20(15)21(16)25/h2-7,13-14H,8-12H2,1H3
InChIKey
DQXQAKVSWFOJQZ-UHFFFAOYSA-N
Compound name
6-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16598 185.6
[M+Na]+ 375.14792 192.6
[M-H]- 351.15142 191.7
[M+NH4]+ 370.19252 198.3
[M+K]+ 391.12186 185.8
[M+H-H2O]+ 335.15596 174.3
[M+HCOO]- 397.15690 200.5
[M+CH3COO]- 411.17255 194.7
[M+Na-2H]- 373.13337 183.8
[M]+ 352.15815 181.4
[M]- 352.15925 181.4
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.