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]+ 272.13936 162.7
[M+Na]+ 294.12130 170.5
[M-H]- 270.12480 167.3
[M+NH4]+ 289.16590 177.4
[M+K]+ 310.09524 166.1
[M+H-H2O]+ 254.12934 147.4
[M+HCOO]- 316.13028 181.8
[M+CH3COO]- 330.14593 212.5
[M+Na-2H]- 292.10675 163.8
[M]+ 271.13153 157.8
[M]- 271.13263 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.