CID 131999705

2648938-92-3

Structural Information

Molecular Formula
C17H22N4O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCOCCN
InChI
InChI=1S/C17H22N4O4/c18-6-8-25-9-7-19-13-3-1-2-11-12(13)10-21(17(11)24)14-4-5-15(22)20-16(14)23/h1-3,14,19H,4-10,18H2,(H,20,22,23)
InChIKey
ZESKALIJCQIEHH-UHFFFAOYSA-N
Compound name
3-[7-[2-(2-aminoethoxy)ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

346.1641 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17138 179.2
[M+Na]+ 369.15332 184.2
[M-H]- 345.15682 181.7
[M+NH4]+ 364.19792 190.8
[M+K]+ 385.12726 179.2
[M+H-H2O]+ 329.16136 170.3
[M+HCOO]- 391.16230 195.8
[M+CH3COO]- 405.17795 215.1
[M+Na-2H]- 367.13877 178.9
[M]+ 346.16355 175.6
[M]- 346.16465 175.6
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