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

31
Patents

313.10626 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.113536 170.8
[M+Na]+ 336.095478 177.7
[M-H]- 312.098984 174.3
[M+NH4]+ 331.140083 184.3
[M+K]+ 352.069418 172.4
[M+H-H2O]+ 296.103520 162.9
[M+HCOO]- 358.104461 186.8
[M+CH3COO]- 372.120111 206.1
[M+Na-2H]- 334.080926 170.1
[M]+ 313.10571142 166.5
[M]- 313.10680858 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