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]+ 317.124436 170.7
[M+Na]+ 339.106378 176.7
[M-H]- 315.109884 173.8
[M+NH4]+ 334.150983 183.5
[M+K]+ 355.080318 172.1
[M+H-H2O]+ 299.114420 162.5
[M+HCOO]- 361.115361 187.2
[M+CH3COO]- 375.131011 208.8
[M+Na-2H]- 337.091826 170.2
[M]+ 316.11661142 165.1
[M]- 316.11770858 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