CID 131999669

2154342-56-8

Structural Information

Molecular Formula
C17H20N4O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCN
InChI
InChI=1S/C17H20N4O5/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23/h1-3,12,19H,4-9,18H2,(H,20,22,23)
InChIKey
WEPAAESBMNSHJA-UHFFFAOYSA-N
Compound name
4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

360.14337 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.150646 181.1
[M+Na]+ 383.132588 187.0
[M-H]- 359.136094 184.0
[M+NH4]+ 378.177193 192.2
[M+K]+ 399.106528 182.2
[M+H-H2O]+ 343.140630 172.4
[M+HCOO]- 405.141571 198.0
[M+CH3COO]- 419.157221 218.3
[M+Na-2H]- 381.118036 180.4
[M]+ 360.14282142 178.7
[M]- 360.14391858 178.7
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