CID 131999668

2154342-45-5

Structural Information

Molecular Formula
C16H18N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCN
InChI
InChI=1S/C16H18N4O4/c17-7-2-8-18-10-4-1-3-9-13(10)16(24)20(15(9)23)11-5-6-12(21)19-14(11)22/h1,3-4,11,18H,2,5-8,17H2,(H,19,21,22)
InChIKey
GLENDMWZMABWHU-UHFFFAOYSA-N
Compound name
4-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

330.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.140076 175.2
[M+Na]+ 353.122018 181.9
[M-H]- 329.125524 178.3
[M+NH4]+ 348.166623 187.6
[M+K]+ 369.095958 176.5
[M+H-H2O]+ 313.130060 166.8
[M+HCOO]- 375.131001 192.3
[M+CH3COO]- 389.146651 212.9
[M+Na-2H]- 351.107466 174.6
[M]+ 330.13225142 171.0
[M]- 330.13334858 171.0
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