CID 3716112

387360-45-4

Structural Information

Molecular Formula
C22H24F2N4O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24F2N4O2/c23-17-1-5-19(6-2-17)25-9-13-27(14-10-25)21(29)22(30)28-15-11-26(12-16-28)20-7-3-18(24)4-8-20/h1-8H,9-16H2
InChIKey
SUFZRFPHCKURNS-UHFFFAOYSA-N
Compound name
1,2-bis[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.18674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19402 202.5
[M+Na]+ 437.17596 205.6
[M-H]- 413.17946 205.2
[M+NH4]+ 432.22056 205.7
[M+K]+ 453.14990 198.6
[M+H-H2O]+ 397.18400 186.7
[M+HCOO]- 459.18494 208.9
[M+CH3COO]- 473.20059 207.1
[M+Na-2H]- 435.16141 198.6
[M]+ 414.18619 191.8
[M]- 414.18729 191.8
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

patents stripe