CID 3063702

101496-69-9

Structural Information

Molecular Formula
C15H20N2O3
SMILES
C1CC(=O)N(C1=O)CCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C15H20N2O3/c16-12-4-6-13(7-5-12)20-11-3-1-2-10-17-14(18)8-9-15(17)19/h4-7H,1-3,8-11,16H2
InChIKey
UTFUQOFPYYXKAR-UHFFFAOYSA-N
Compound name
1-[5-(4-aminophenoxy)pentyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 163.9
[M+Na]+ 299.13662 170.1
[M-H]- 275.14012 168.5
[M+NH4]+ 294.18122 179.9
[M+K]+ 315.11056 166.5
[M+H-H2O]+ 259.14466 155.8
[M+HCOO]- 321.14560 186.0
[M+CH3COO]- 335.16125 200.6
[M+Na-2H]- 297.12207 164.4
[M]+ 276.14685 164.1
[M]- 276.14795 164.1
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