CID 3066544

Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl-

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC1=CC=C(N1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H27N3O/c1-17-10-11-18(2)23(17)12-6-9-20(24)22-15-13-21(14-16-22)19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-16H2,1-2H3
InChIKey
VWVPPKQXLZWRQO-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 182.5
[M+Na]+ 348.20464 195.0
[M+NH4]+ 343.24924 189.4
[M+K]+ 364.17858 189.0
[M-H]- 324.20814 186.4
[M+Na-2H]- 346.19009 189.2
[M]+ 325.21487 185.2
[M]- 325.21597 185.2
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.