CID 3049842

((p-fluorophenyl)-4 piperazinyl-1)-1 ((ethoxycarbonyl)-4 piperazinyl-1)-2 ethane difumarate

Structural Information

Molecular Formula
C19H29FN4O2
SMILES
CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H29FN4O2/c1-2-26-19(25)24-15-11-22(12-16-24)8-7-21-9-13-23(14-10-21)18-5-3-17(20)4-6-18/h3-6H,2,7-16H2,1H3
InChIKey
KGGXXBKRIJQGGX-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22745 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23473 192.7
[M+Na]+ 387.21667 194.9
[M-H]- 363.22017 193.3
[M+NH4]+ 382.26127 198.6
[M+K]+ 403.19061 189.9
[M+H-H2O]+ 347.22471 178.8
[M+HCOO]- 409.22565 200.9
[M+CH3COO]- 423.24130 214.9
[M+Na-2H]- 385.20212 190.3
[M]+ 364.22690 185.6
[M]- 364.22800 185.6
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.