CID 3994476

Chembl279841

Structural Information

Molecular Formula
C19H27N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O
InChI
InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
InChIKey
MQHOGPLXAXSQAJ-UHFFFAOYSA-N
Compound name
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

26
Patents

345.20523 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 185.3
[M+Na]+ 368.19445 189.6
[M-H]- 344.19795 189.7
[M+NH4]+ 363.23905 195.7
[M+K]+ 384.16839 185.1
[M+H-H2O]+ 328.20249 174.2
[M+HCOO]- 390.20343 199.7
[M+CH3COO]- 404.21908 211.8
[M+Na-2H]- 366.17990 182.4
[M]+ 345.20468 183.0
[M]- 345.20578 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe