CID 39427

Brn 1479560

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCCNC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H18N2O3/c1-2-9-16-13(18)8-5-10-17-14(19)11-6-3-4-7-12(11)15(17)20/h3-4,6-7H,2,5,8-10H2,1H3,(H,16,18)
InChIKey
OYLDSWGHIJEPMD-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)-N-propylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.2
[M+Na]+ 297.12096 170.5
[M-H]- 273.12446 166.2
[M+NH4]+ 292.16556 180.8
[M+K]+ 313.09490 166.9
[M+H-H2O]+ 257.12900 156.1
[M+HCOO]- 319.12994 184.8
[M+CH3COO]- 333.14559 202.0
[M+Na-2H]- 295.10641 165.2
[M]+ 274.13119 165.7
[M]- 274.13229 165.7
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.