CID 25147

N,n-diethyl-1,3-dioxo-2-isoindolinebutyramide

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCN(CC)C(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H20N2O3/c1-3-17(4-2)14(19)10-7-11-18-15(20)12-8-5-6-9-13(12)16(18)21/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKey
NCCXKYUWIXTJAF-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)-N,N-diethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 167.7
[M+Na]+ 311.136618 174.7
[M-H]- 287.140124 172.0
[M+NH4]+ 306.181223 185.4
[M+K]+ 327.110558 172.3
[M+H-H2O]+ 271.144660 160.4
[M+HCOO]- 333.145601 189.5
[M+CH3COO]- 347.161251 208.4
[M+Na-2H]- 309.122066 168.5
[M]+ 288.14685142 171.8
[M]- 288.14794858 171.8
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.