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]+ 326.222696 182.2
[M+Na]+ 348.204638 187.1
[M-H]- 324.208144 187.0
[M+NH4]+ 343.249243 193.6
[M+K]+ 364.178578 181.7
[M+H-H2O]+ 308.212680 171.1
[M+HCOO]- 370.213621 197.7
[M+CH3COO]- 384.229271 209.5
[M+Na-2H]- 346.190086 180.2
[M]+ 325.21487142 179.9
[M]- 325.21596858 179.9
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.