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

3
Patents

327.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.201946 181.8
[M+Na]+ 350.183888 183.4
[M-H]- 326.187394 185.4
[M+NH4]+ 345.228493 192.0
[M+K]+ 366.157828 178.8
[M+H-H2O]+ 310.191930 170.5
[M+HCOO]- 372.192871 194.3
[M+CH3COO]- 386.208521 205.2
[M+Na-2H]- 348.169336 178.6
[M]+ 327.19412142 174.7
[M]- 327.19521858 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