CID 9910257

Rwj-25730

Structural Information

Molecular Formula
C25H36N4O2
SMILES
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCC4=O
InChI
InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
InChIKey
BLFPEKXTSDYQOQ-UHFFFAOYSA-N
Compound name
1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

424.2838 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.29108 209.2
[M+Na]+ 447.27302 220.8
[M+NH4]+ 442.31762 214.7
[M+K]+ 463.24696 215.2
[M-H]- 423.27652 214.0
[M+Na-2H]- 445.25847 214.6
[M]+ 424.28325 211.9
[M]- 424.28435 211.9
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