CID 9892249

Ms-377 free base

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
COCCN1CCN(CC1)C[C@H]2CCN(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H26ClN3O2/c1-24-13-12-20-8-10-21(11-9-20)14-15-6-7-22(18(15)23)17-4-2-16(19)3-5-17/h2-5,15H,6-14H2,1H3/t15-/m1/s1
InChIKey
DKVVPXLIRYCKCS-OAHLLOKOSA-N
Compound name
(3R)-1-(4-chlorophenyl)-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

351.17136 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 184.8
[M+Na]+ 374.16058 197.0
[M+NH4]+ 369.20518 191.7
[M+K]+ 390.13452 190.9
[M-H]- 350.16408 188.2
[M+Na-2H]- 372.14603 190.0
[M]+ 351.17081 187.6
[M]- 351.17191 187.6
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