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 185.5
[M+Na]+ 368.19445 188.2
[M-H]- 344.19795 188.3
[M+NH4]+ 363.23905 194.8
[M+K]+ 384.16839 183.4
[M+H-H2O]+ 328.20249 174.7
[M+HCOO]- 390.20343 197.5
[M+CH3COO]- 404.21908 208.5
[M+Na-2H]- 366.17990 181.8
[M]+ 345.20468 180.3
[M]- 345.20578 180.3
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.