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

159
Patents

360.14337 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15065 181.1
[M+Na]+ 383.13259 187.0
[M-H]- 359.13609 184.0
[M+NH4]+ 378.17719 192.2
[M+K]+ 399.10653 182.2
[M+H-H2O]+ 343.14063 172.4
[M+HCOO]- 405.14157 198.0
[M+CH3COO]- 419.15722 218.3
[M+Na-2H]- 381.11804 180.4
[M]+ 360.14282 178.7
[M]- 360.14392 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