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

22
Patents

414.2267 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23398 200.5
[M+Na]+ 437.21592 204.3
[M-H]- 413.21942 202.4
[M+NH4]+ 432.26052 209.4
[M+K]+ 453.18986 197.8
[M+H-H2O]+ 397.22396 191.0
[M+HCOO]- 459.22490 215.4
[M+CH3COO]- 473.24055 230.7
[M+Na-2H]- 435.20137 197.0
[M]+ 414.22615 198.2
[M]- 414.22725 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