CID 13260375

88052-47-5

Structural Information

Molecular Formula
C19H24FN3O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C19H24FN3O2/c20-17-6-3-16(4-7-17)5-8-18(24)23-13-11-21(12-14-23)15-19(25)22-9-1-2-10-22/h3-8H,1-2,9-15H2/b8-5+
InChIKey
WNDKGGAXSBDHHU-VMPITWQZSA-N
Compound name
(E)-3-(4-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.18524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19252 184.8
[M+Na]+ 368.17446 187.4
[M-H]- 344.17796 187.4
[M+NH4]+ 363.21906 194.6
[M+K]+ 384.14840 182.3
[M+H-H2O]+ 328.18250 172.8
[M+HCOO]- 390.18344 196.3
[M+CH3COO]- 404.19909 209.0
[M+Na-2H]- 366.15991 180.3
[M]+ 345.18469 177.1
[M]- 345.18579 177.1
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.