CID 113029

Propanenitrile, 3-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)phenylamino)-

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CC(=O)N(C1=O)CCN(CCC#N)C2=CC=CC=C2
InChI
InChI=1S/C15H17N3O2/c16-9-4-10-17(13-5-2-1-3-6-13)11-12-18-14(19)7-8-15(18)20/h1-3,5-6H,4,7-8,10-12H2
InChIKey
NYCFYVHKHSZSIG-UHFFFAOYSA-N
Compound name
3-[N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.7
[M+Na]+ 294.121298 170.5
[M-H]- 270.124804 167.3
[M+NH4]+ 289.165903 177.4
[M+K]+ 310.095238 166.1
[M+H-H2O]+ 254.129340 147.4
[M+HCOO]- 316.130281 181.8
[M+CH3COO]- 330.145931 212.5
[M+Na-2H]- 292.106746 163.8
[M]+ 271.13153142 157.8
[M]- 271.13262858 157.8
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

No patent data available for this compound.