CID 121439728

2162120-73-0

Structural Information

Molecular Formula
C17H20N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCN
InChI
InChI=1S/C17H20N4O4/c18-8-1-2-9-19-11-5-3-4-10-14(11)17(25)21(16(10)24)12-6-7-13(22)20-15(12)23/h3-5,12,19H,1-2,6-9,18H2,(H,20,22,23)
InChIKey
KMGOFKGAYSFPGS-UHFFFAOYSA-N
Compound name
4-(4-aminobutylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

344.14847 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 180.9
[M+Na]+ 367.13769 188.8
[M+NH4]+ 362.18229 185.0
[M+K]+ 383.11163 186.1
[M-H]- 343.14119 181.7
[M+Na-2H]- 365.12314 181.6
[M]+ 344.14792 181.5
[M]- 344.14902 181.5
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