CID 141763092

2338824-30-7

Structural Information

Molecular Formula
C19H23N3O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCCCCC(=O)O
InChI
InChI=1S/C19H23N3O5/c23-16-9-8-15(18(26)21-16)22-11-13-12(19(22)27)5-4-6-14(13)20-10-3-1-2-7-17(24)25/h4-6,15,20H,1-3,7-11H2,(H,24,25)(H,21,23,26)
InChIKey
SXYBCXPXMIRZCL-UHFFFAOYSA-N
Compound name
6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

373.16376 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 186.9
[M+Na]+ 396.15298 191.2
[M-H]- 372.15648 188.3
[M+NH4]+ 391.19758 197.0
[M+K]+ 412.12692 185.9
[M+H-H2O]+ 356.16102 178.4
[M+HCOO]- 418.16196 200.2
[M+CH3COO]- 432.17761 216.5
[M+Na-2H]- 394.13843 184.5
[M]+ 373.16321 183.9
[M]- 373.16431 183.9
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