CID 3018452

73725-74-3

Structural Information

Molecular Formula
C23H29N3O3
SMILES
COC1=C(C=C(C=C1)C2CC(=O)NC2)OCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27)
InChIKey
LJIYALDEFRXWMW-UHFFFAOYSA-N
Compound name
4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

395.2209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 197.4
[M+Na]+ 418.21012 200.2
[M-H]- 394.21362 203.3
[M+NH4]+ 413.25472 204.3
[M+K]+ 434.18406 194.1
[M+H-H2O]+ 378.21816 184.9
[M+HCOO]- 440.21910 209.9
[M+CH3COO]- 454.23475 203.9
[M+Na-2H]- 416.19557 194.1
[M]+ 395.22035 192.4
[M]- 395.22145 192.4
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

patents stripe