CID 113029

63133-76-6

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 165.8
[M+Na]+ 294.12130 175.5
[M+NH4]+ 289.16590 169.1
[M+K]+ 310.09524 167.6
[M-H]- 270.12480 160.9
[M+Na-2H]- 292.10675 168.4
[M]+ 271.13153 164.7
[M]- 271.13263 164.7
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.