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

52
Patents

311.0906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 173.5
[M+Na]+ 334.07982 183.3
[M+NH4]+ 329.12442 175.1
[M+K]+ 350.05376 176.6
[M-H]- 310.08332 166.1
[M+Na-2H]- 332.06527 172.2
[M]+ 311.09005 171.5
[M]- 311.09115 171.5
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