CID 3049764

Brn 0821435

Structural Information

Molecular Formula
C20H19FN2O
SMILES
C1CN(CCN1/C=C/2\CC3=C(C2=O)C=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C20H19FN2O/c21-17-7-6-15-12-16(20(24)19(15)13-17)14-22-8-10-23(11-9-22)18-4-2-1-3-5-18/h1-7,13-14H,8-12H2/b16-14+
InChIKey
QMRXLJQECOFCML-JQIJEIRASA-N
Compound name
(2E)-6-fluoro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15541 177.7
[M+Na]+ 345.13735 184.5
[M-H]- 321.14085 183.6
[M+NH4]+ 340.18195 191.4
[M+K]+ 361.11129 177.1
[M+H-H2O]+ 305.14539 166.5
[M+HCOO]- 367.14633 192.9
[M+CH3COO]- 381.16198 187.1
[M+Na-2H]- 343.12280 177.1
[M]+ 322.14758 171.4
[M]- 322.14868 171.4
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.