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

148
Patents

344.14847 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 179.4
[M+Na]+ 367.137688 185.7
[M-H]- 343.141194 182.4
[M+NH4]+ 362.182293 191.3
[M+K]+ 383.111628 180.1
[M+H-H2O]+ 327.145730 170.9
[M+HCOO]- 389.146671 196.2
[M+CH3COO]- 403.162321 215.8
[M+Na-2H]- 365.123136 178.4
[M]+ 344.14792142 175.6
[M]- 344.14901858 175.6
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