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

555
Patents

287.0906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.097876 163.9
[M+Na]+ 310.079818 172.5
[M-H]- 286.083324 167.5
[M+NH4]+ 305.124423 178.6
[M+K]+ 326.053758 167.3
[M+H-H2O]+ 270.087860 156.3
[M+HCOO]- 332.088801 180.7
[M+CH3COO]- 346.104451 201.4
[M+Na-2H]- 308.065266 163.5
[M]+ 287.09005142 159.7
[M]- 287.09114858 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