CID 146410789

2412439-21-3

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C#CC1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O
InChI
InChI=1S/C15H12N2O3/c1-2-9-3-4-11-10(7-9)8-17(15(11)20)12-5-6-13(18)16-14(12)19/h1,3-4,7,12H,5-6,8H2,(H,16,18,19)
InChIKey
CDRKCWJENLEAFK-UHFFFAOYSA-N
Compound name
3-(6-ethynyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

268.08478 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 161.7
[M+Na]+ 291.073998 172.6
[M-H]- 267.077504 162.9
[M+NH4]+ 286.118603 175.4
[M+K]+ 307.047938 164.1
[M+H-H2O]+ 251.082040 148.0
[M+HCOO]- 313.082981 172.1
[M+CH3COO]- 327.098631 170.7
[M+Na-2H]- 289.059446 160.7
[M]+ 268.08423142 152.3
[M]- 268.08532858 152.3
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