CID 90467376

Plosaracetam

Structural Information

Molecular Formula

C₁₃H₁₀ClF₃N₄O

SMILES

C1[C@@H](CN(C1=O)CN2C(=NC=N2)Cl)C3=CC(=C(C(=C3)F)F)F

InChI

InChI=1S/C13H10ClF3N4O/c14-13-18-5-19-21(13)6-20-4-8(3-11(20)22)7-1-9(15)12(17)10(16)2-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1

InChIKey

GPGBFZCJDZALPN-QMMMGPOBSA-N

Compound name

(4R)-1-[(5-chloro-1,2,4-triazol-1-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 330.04953 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.056806	168.9
[M+Na]+	353.038748	181.3
[M-H]-	329.042254	170.7
[M+NH4]+	348.083353	182.1
[M+K]+	369.012688	174.3
[M+H-H2O]+	313.046790	156.7
[M+HCOO]-	375.047731	180.7
[M+CH3COO]-	389.063381	179.5
[M+Na-2H]-	351.024196	165.2
[M]+	330.04898142	167.8
[M]-	330.05007858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe