CID 13260331

Piperazine, 1-(1-oxo-3-phenyl-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C19H25N3O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O2/c23-18(9-8-17-6-2-1-3-7-17)22-14-12-20(13-15-22)16-19(24)21-10-4-5-11-21/h1-3,6-9H,4-5,10-16H2/b9-8+
InChIKey
CDXOFRCOANQFHU-CMDGGOBGSA-N
Compound name
(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 181.8
[M+Na]+ 350.18389 183.4
[M-H]- 326.18739 185.4
[M+NH4]+ 345.22849 192.0
[M+K]+ 366.15783 178.8
[M+H-H2O]+ 310.19193 170.5
[M+HCOO]- 372.19287 194.3
[M+CH3COO]- 386.20852 205.2
[M+Na-2H]- 348.16934 178.6
[M]+ 327.19412 174.7
[M]- 327.19522 174.7
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