CID 132117417

2154342-26-2

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]+ 326.113536 174.8
[M+Na]+ 348.095478 184.7
[M-H]- 324.098984 177.0
[M+NH4]+ 343.140083 186.6
[M+K]+ 364.069418 177.5
[M+H-H2O]+ 308.103520 160.5
[M+HCOO]- 370.104461 186.1
[M+CH3COO]- 384.120111 217.1
[M+Na-2H]- 346.080926 172.3
[M]+ 325.10571142 167.4
[M]- 325.10680858 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