CID 121439746

1957235-52-7

Structural Information

Molecular Formula
C16H15N3O4
SMILES
C=CC(=O)NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H15N3O4/c1-2-13(20)17-11-5-3-4-9-10(11)8-19(16(9)23)12-6-7-14(21)18-15(12)22/h2-5,12H,1,6-8H2,(H,17,20)(H,18,21,22)
InChIKey
NYYBDEHNQGFDEJ-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

313.10626 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 170.8
[M+Na]+ 336.09548 177.7
[M-H]- 312.09898 174.3
[M+NH4]+ 331.14008 184.3
[M+K]+ 352.06942 172.4
[M+H-H2O]+ 296.10352 162.9
[M+HCOO]- 358.10446 186.8
[M+CH3COO]- 372.12011 206.1
[M+Na-2H]- 334.08093 170.1
[M]+ 313.10571 166.5
[M]- 313.10681 166.5
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

patents stripe