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

630
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 163.9
[M+Na]+ 310.07982 172.5
[M-H]- 286.08332 167.5
[M+NH4]+ 305.12442 178.6
[M+K]+ 326.05376 167.3
[M+H-H2O]+ 270.08786 156.3
[M+HCOO]- 332.08880 180.7
[M+CH3COO]- 346.10445 201.4
[M+Na-2H]- 308.06527 163.5
[M]+ 287.09005 159.7
[M]- 287.09115 159.7
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