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

24
Patents

268.08478 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 161.7
[M+Na]+ 291.07400 172.6
[M-H]- 267.07750 162.9
[M+NH4]+ 286.11860 175.4
[M+K]+ 307.04794 164.1
[M+H-H2O]+ 251.08204 148.0
[M+HCOO]- 313.08298 172.1
[M+CH3COO]- 327.09863 170.7
[M+Na-2H]- 289.05945 160.7
[M]+ 268.08423 152.3
[M]- 268.08533 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