CID 3079018

Nefiracetam d-2

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNCCCC(=O)O
InChI
InChI=1S/C14H20N2O3/c1-10-5-3-6-11(2)14(10)16-12(17)9-15-8-4-7-13(18)19/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
NAAZEZUKLGBHJF-UHFFFAOYSA-N
Compound name
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.1474 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.5
[M+Na]+ 287.13662 167.3
[M-H]- 263.14012 164.5
[M+NH4]+ 282.18122 177.9
[M+K]+ 303.11056 164.8
[M+H-H2O]+ 247.14466 155.4
[M+HCOO]- 309.14560 184.9
[M+CH3COO]- 323.16125 201.8
[M+Na-2H]- 285.12207 164.2
[M]+ 264.14685 163.1
[M]- 264.14795 163.1
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

No patent data available for this compound.