CID 198799

Ac-mg-1

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)CN3CCCC3=O
InChI
InChI=1S/C19H27N3O3/c1-16(23)25-18(15-22-9-5-8-19(22)24)14-20-10-12-21(13-11-20)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3
InChIKey
RNKTUCHGXMXVSR-UHFFFAOYSA-N
Compound name
[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.20523 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 184.7
[M+Na]+ 368.19445 186.5
[M-H]- 344.19795 188.5
[M+NH4]+ 363.23905 194.3
[M+K]+ 384.16839 183.2
[M+H-H2O]+ 328.20249 173.5
[M+HCOO]- 390.20343 197.2
[M+CH3COO]- 404.21908 210.5
[M+Na-2H]- 366.17990 181.0
[M]+ 345.20468 180.2
[M]- 345.20578 180.2
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

No patent data available for this compound.