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 179.4
[M+Na]+ 367.13769 185.7
[M-H]- 343.14119 182.4
[M+NH4]+ 362.18229 191.3
[M+K]+ 383.11163 180.1
[M+H-H2O]+ 327.14573 170.9
[M+HCOO]- 389.14667 196.2
[M+CH3COO]- 403.16232 215.8
[M+Na-2H]- 365.12314 178.4
[M]+ 344.14792 175.6
[M]- 344.14902 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