CID 9879945

444287-89-2

Structural Information

Molecular Formula
C15H16N4O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CN
InChI
InChI=1S/C15H16N4O4/c16-6-13(21)17-10-3-1-2-8-9(10)7-19(15(8)23)11-4-5-12(20)18-14(11)22/h1-3,11H,4-7,16H2,(H,17,21)(H,18,20,22)
InChIKey
JWBGWRMTYZIZRL-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

316.11716 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 170.7
[M+Na]+ 339.10638 176.7
[M-H]- 315.10988 173.8
[M+NH4]+ 334.15098 183.5
[M+K]+ 355.08032 172.1
[M+H-H2O]+ 299.11442 162.5
[M+HCOO]- 361.11536 187.2
[M+CH3COO]- 375.13101 208.8
[M+Na-2H]- 337.09183 170.2
[M]+ 316.11661 165.1
[M]- 316.11771 165.1
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