CID 21988526

444287-40-5

Structural Information

Molecular Formula
C14H13N3O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC(=C3C2=O)CN
InChI
InChI=1S/C14H13N3O4/c15-6-7-2-1-3-8-11(7)14(21)17(13(8)20)9-4-5-10(18)16-12(9)19/h1-3,9H,4-6,15H2,(H,16,18,19)
InChIKey
TUMJPYMYNBEMDD-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

629
Patents

287.0906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 164.9
[M+Na]+ 310.07982 174.9
[M+NH4]+ 305.12442 170.1
[M+K]+ 326.05376 172.3
[M-H]- 286.08332 165.7
[M+Na-2H]- 308.06527 166.6
[M]+ 287.09005 165.9
[M]- 287.09115 165.9
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