CID 217143

38160-20-2

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3
InChI
InChI=1S/C19H27N3O3/c1-2-3-12-25-17-6-4-16(5-7-17)22-14-15(13-18(22)23)19(24)21-10-8-20-9-11-21/h4-7,15,20H,2-3,8-14H2,1H3
InChIKey
VKSLIWXFATZABW-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 186.2
[M+Na]+ 368.19445 195.5
[M+NH4]+ 363.23905 191.3
[M+K]+ 384.16839 191.5
[M-H]- 344.19795 188.0
[M+Na-2H]- 366.17990 189.8
[M]+ 345.20468 187.5
[M]- 345.20578 187.5
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.