CID 25147

10312-36-4

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]+ 289.15468 167.7
[M+Na]+ 311.13662 174.7
[M-H]- 287.14012 172.0
[M+NH4]+ 306.18122 185.4
[M+K]+ 327.11056 172.3
[M+H-H2O]+ 271.14466 160.4
[M+HCOO]- 333.14560 189.5
[M+CH3COO]- 347.16125 208.4
[M+Na-2H]- 309.12207 168.5
[M]+ 288.14685 171.8
[M]- 288.14795 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.