CID 142561263

2305936-77-8

Structural Information

Molecular Formula
C22H30N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCCCN
InChI
InChI=1S/C22H30N4O4/c23-13-6-4-2-1-3-5-7-14-24-16-10-8-9-15-19(16)22(30)26(21(15)29)17-11-12-18(27)25-20(17)28/h8-10,17,24H,1-7,11-14,23H2,(H,25,27,28)
InChIKey
JEKQYPUPJKRHRM-UHFFFAOYSA-N
Compound name
4-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

414.2267 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.233976 200.5
[M+Na]+ 437.215918 204.3
[M-H]- 413.219424 202.4
[M+NH4]+ 432.260523 209.4
[M+K]+ 453.189858 197.8
[M+H-H2O]+ 397.223960 191.0
[M+HCOO]- 459.224901 215.4
[M+CH3COO]- 473.240551 230.7
[M+Na-2H]- 435.201366 197.0
[M]+ 414.22615142 198.2
[M]- 414.22724858 198.2
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