CID 52948

Brn 5074075

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCCCNC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H20N2O3/c1-2-3-10-17-14(19)9-6-11-18-15(20)12-7-4-5-8-13(12)16(18)21/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)
InChIKey
JBEIPGCTDXRQOB-UHFFFAOYSA-N
Compound name
N-butyl-4-(1,3-dioxoisoindol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 167.8
[M+Na]+ 311.13662 174.7
[M-H]- 287.14012 170.6
[M+NH4]+ 306.18122 184.9
[M+K]+ 327.11056 170.9
[M+H-H2O]+ 271.14466 160.5
[M+HCOO]- 333.14560 189.1
[M+CH3COO]- 347.16125 205.0
[M+Na-2H]- 309.12207 169.3
[M]+ 288.14685 170.7
[M]- 288.14795 170.7
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.