CID 9892249

Xj9u35h4r3

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

12
References

59
Patents

351.17136 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.178636 186.4
[M+Na]+ 374.160578 191.7
[M-H]- 350.164084 190.6
[M+NH4]+ 369.205183 197.5
[M+K]+ 390.134518 185.8
[M+H-H2O]+ 334.168620 175.5
[M+HCOO]- 396.169561 196.0
[M+CH3COO]- 410.185211 211.0
[M+Na-2H]- 372.146026 183.1
[M]+ 351.17081142 184.9
[M]- 351.17190858 184.9
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