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

54
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 171.9
[M+Na]+ 334.07982 182.0
[M-H]- 310.08332 173.0
[M+NH4]+ 329.12442 183.6
[M+K]+ 350.05376 173.9
[M+H-H2O]+ 294.08786 157.8
[M+HCOO]- 356.08880 183.0
[M+CH3COO]- 370.10445 211.7
[M+Na-2H]- 332.06527 170.3
[M]+ 311.09005 163.1
[M]- 311.09115 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