CID 132117631

2154342-25-1

Structural Information

Molecular Formula
C16H13N3O4
SMILES
C#CCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H13N3O4/c1-2-8-17-10-5-3-4-9-13(10)16(23)19(15(9)22)11-6-7-12(20)18-14(11)21/h1,3-5,11,17H,6-8H2,(H,18,20,21)
InChIKey
UKLSNEYLHJEMPO-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-(prop-2-ynylamino)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

311.0906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.097876 171.9
[M+Na]+ 334.079818 182.0
[M-H]- 310.083324 173.0
[M+NH4]+ 329.124423 183.6
[M+K]+ 350.053758 173.9
[M+H-H2O]+ 294.087860 157.8
[M+HCOO]- 356.088801 183.0
[M+CH3COO]- 370.104451 211.7
[M+Na-2H]- 332.065266 170.3
[M]+ 311.09005142 163.1
[M]- 311.09114858 163.1
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