CID 121439719

2245697-88-3

Structural Information

Molecular Formula
C19H23N3O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCN
InChI
InChI=1S/C19H23N3O5/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24/h5-7,13H,1-4,8-11,20H2,(H,21,23,24)
InChIKey
QPKPIBLEXSCVSO-UHFFFAOYSA-N
Compound name
4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

373.16376 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 189.5
[M+Na]+ 396.15298 197.8
[M+NH4]+ 391.19758 193.2
[M+K]+ 412.12692 194.7
[M-H]- 372.15648 189.5
[M+Na-2H]- 394.13843 189.4
[M]+ 373.16321 189.9
[M]- 373.16431 189.9
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