CID 3050860

1-pyrrolidineacetamide, n-(2-(butylamino)-2-oxoethyl)-2-oxo-

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCCCNC(=O)CNC(=O)CN1CCCC1=O
InChI
InChI=1S/C12H21N3O3/c1-2-3-6-13-10(16)8-14-11(17)9-15-7-4-5-12(15)18/h2-9H2,1H3,(H,13,16)(H,14,17)
InChIKey
CXCDJTJAAYSFKP-UHFFFAOYSA-N
Compound name
N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.1583 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 161.0
[M+Na]+ 278.147518 164.3
[M-H]- 254.151024 162.2
[M+NH4]+ 273.192123 177.4
[M+K]+ 294.121458 162.9
[M+H-H2O]+ 238.155560 153.3
[M+HCOO]- 300.156501 182.4
[M+CH3COO]- 314.172151 198.8
[M+Na-2H]- 276.132966 161.2
[M]+ 255.15775142 159.9
[M]- 255.15884858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe