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

105
Patents

330.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 175.2
[M+Na]+ 353.12202 181.9
[M-H]- 329.12552 178.3
[M+NH4]+ 348.16662 187.6
[M+K]+ 369.09596 176.5
[M+H-H2O]+ 313.13006 166.8
[M+HCOO]- 375.13100 192.3
[M+CH3COO]- 389.14665 212.9
[M+Na-2H]- 351.10747 174.6
[M]+ 330.13225 171.0
[M]- 330.13335 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