CID 39426

2-isoindolinebutyramide, 1,3-dioxo-n-ethyl-

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCNC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H16N2O3/c1-2-15-12(17)8-5-9-16-13(18)10-6-3-4-7-11(10)14(16)19/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)
InChIKey
RKPHDXVJUYAFLA-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)-N-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.6
[M+Na]+ 283.105318 166.4
[M-H]- 259.108824 161.8
[M+NH4]+ 278.149923 176.8
[M+K]+ 299.079258 163.0
[M+H-H2O]+ 243.113360 151.7
[M+HCOO]- 305.114301 180.6
[M+CH3COO]- 319.129951 199.0
[M+Na-2H]- 281.090766 161.1
[M]+ 260.11555142 160.8
[M]- 260.11664858 160.8
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.