CID 132117417

2-(2,6-dioxopiperidin-3-yl)-4-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C17H15N3O4
SMILES
CN(CC#C)C1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C17H15N3O4/c1-3-9-19(2)11-6-4-5-10-14(11)17(24)20(16(10)23)12-7-8-13(21)18-15(12)22/h1,4-6,12H,7-9H2,2H3,(H,18,21,22)
InChIKey
UIGJJLHCDYZCHJ-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-[methyl(prop-2-ynyl)amino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

325.10626 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 174.8
[M+Na]+ 348.09548 184.7
[M-H]- 324.09898 177.0
[M+NH4]+ 343.14008 186.6
[M+K]+ 364.06942 177.5
[M+H-H2O]+ 308.10352 160.5
[M+HCOO]- 370.10446 186.1
[M+CH3COO]- 384.12011 217.1
[M+Na-2H]- 346.08093 172.3
[M]+ 325.10571 167.4
[M]- 325.10681 167.4
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